Metabolite 5'-hydroxymethyl meloxicam

Name

5'-hydroxymethyl meloxicam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

H7NJ09217D

CAS number

Not Available

Weight

Average: 367.4
Monoisotopic: 367.029661921

Chemical Formula

C₁₄H₁₃N₃O₅S₂

InChI Key

LOOSAJMIEADILV-UHFFFAOYSA-N

InChI

InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)

IUPAC Name

4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboximidic acid

SMILES

CN1C(C(O)=NC2=NC=C(CO)S2)=C(O)C2=CC=CC=C2S1(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0gdi-2924000000-1f64709c73fb12ef4ac2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0029000000-b36dddd468c8fecff56d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udr-0906000000-f837dfd3d453484b85a5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0929-0954000000-5e31604dfad11c9a000e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03fu-2951000000-48441f0ddfee75230872
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-1911000000-eae483c4292be89ea169
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-5945000000-4dd4837da623a05a37e6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	184.6624473	predicted	DarkChem Lite v0.1.0
[M-H]-	184.4272473	predicted	DarkChem Lite v0.1.0
[M-H]-	175.45946	predicted	DeepCCS 1.0 (2019)
[M+H]+	185.2261473	predicted	DarkChem Lite v0.1.0
[M+H]+	185.3229473	predicted	DarkChem Lite v0.1.0
[M+H]+	177.81747	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.0143473	predicted	DarkChem Lite v0.1.0
[M+Na]+	184.7844473	predicted	DarkChem Lite v0.1.0
[M+Na]+	183.91063	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties