CID 2836732

Chembl1729716

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C15H13N3O3S/c1-11(19)17-12-6-8-13(9-7-12)22(20,21)18-10-16-14-4-2-3-5-15(14)18/h2-10H,1H3,(H,17,19)

InChIKey

VKHBANSWZNQPDL-UHFFFAOYSA-N

Compound name

N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 315.06775 Da
Monoisotopic Mass: 1.8
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]+	316.075026	170.7
[M+Na]+	338.056968	181.2
[M-H]-	314.060474	177.1
[M+NH4]+	333.101573	185.7
[M+K]+	354.030908	176.3
[M+H-H2O]+	298.065010	163.1
[M+HCOO]-	360.065951	188.8
[M+CH3COO]-	374.081601	203.0
[M+Na-2H]-	336.042416	176.1
[M]+	315.06720142	175.7
[M]-	315.06829858	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.