Metabolite Indapamide metabolite M3

Name

Indapamide metabolite M3

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 379.818
Monoisotopic: 379.039354348

Chemical Formula

C₁₆H₁₄ClN₃O₄S

InChI Key

NYONMYACEVMMGW-UHFFFAOYSA-N

InChI

InChI=1S/C16H14ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-8,21H,1H3,(H,19,22)(H2,18,23,24)

IUPAC Name

4-chloro-N-(5-hydroxy-2-methyl-1H-indol-1-yl)-3-sulfamoylbenzamide

SMILES

CC1=CC2=CC(O)=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01q9-0309000000-56cb4871e73103d67bca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0109000000-39ede3a73375da35837a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0901000000-c16d9d5bf19aba0ae929
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0209000000-b2337b4949cac1c07eb8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-005c-9520000000-68905f3924c2cfd94f3f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-003i-0940000000-cb4854d73c1ee552e887

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	177.69931	predicted	DeepCCS 1.0 (2019)
[M+H]+	180.05731	predicted	DeepCCS 1.0 (2019)
[M+Na]+	186.51425	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties