Metabolite N-Acetyl-3-hydroxyprocainamide

Name

N-Acetyl-3-hydroxyprocainamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 293.3614
Monoisotopic: 293.173941617

Chemical Formula

C₁₅H₂₃N₃O₃

InChI Key

REELIONXYPAEGO-UHFFFAOYSA-N

InChI

InChI=1S/C15H23N3O3/c1-4-18(5-2)9-8-16-15(21)12-6-7-13(14(20)10-12)17-11(3)19/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,16,21)(H,17,19)

IUPAC Name

N-[2-(diethylamino)ethyl]-3-hydroxy-4-[(1-hydroxyethylidene)amino]benzene-1-carboximidic acid

SMILES

CCN(CC)CCN=C(O)C1=CC(O)=C(C=C1)N=C(C)O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0pdr-9330000000-c1c7705773b3a386e376
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0490000000-b9f4c1d9a8a32795aa31
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udj-0090000000-6136a88e9b3c6c58c168
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fb9-1930000000-25e05e5f83a8f252461b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000t-1490000000-59799e68a130e39dc180
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-1910000000-141d31c1918616800412
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fc1-2950000000-36df49481639915df109

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	179.9555897	predicted	DarkChem Lite v0.1.0
[M-H]-	170.93561	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.8323897	predicted	DarkChem Lite v0.1.0
[M+H]+	173.29362	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.8786897	predicted	DarkChem Lite v0.1.0
[M+Na]+	179.38676	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties