CID 129318232

67381-52-6

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₄S

SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)O

InChI

InChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)

InChIKey

NFLGNXQFVLJJEM-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 327.12527 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.13255	174.3
[M+Na]+	350.11449	179.7
[M-H]-	326.11799	177.8
[M+NH4]+	345.15909	187.7
[M+K]+	366.08843	175.7
[M+H-H2O]+	310.12253	167.3
[M+HCOO]-	372.12347	188.7
[M+CH3COO]-	386.13912	206.4
[M+Na-2H]-	348.09994	173.4
[M]+	327.12472	173.5
[M]-	327.12582	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe