CID 3010977

Chembl254727

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂S

SMILES

CC(C)S(=O)(=O)NC1=CC2=C(C=C1)N=C(N2)N

InChI

InChI=1S/C10H14N4O2S/c1-6(2)17(15,16)14-7-3-4-8-9(5-7)13-10(11)12-8/h3-6,14H,1-2H3,(H3,11,12,13)

InChIKey

AOGPRHYIWZBGDD-UHFFFAOYSA-N

Compound name

N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 254.08374 Da
Monoisotopic Mass: 1.0
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]+	255.09102	154.3
[M+Na]+	277.07296	163.9
[M-H]-	253.07646	155.5
[M+NH4]+	272.11756	170.9
[M+K]+	293.04690	159.4
[M+H-H2O]+	237.08100	148.0
[M+HCOO]-	299.08194	170.9
[M+CH3COO]-	313.09759	193.6
[M+Na-2H]-	275.05841	158.8
[M]+	254.08319	155.7
[M]-	254.08429	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe