CID 22997045

915922-50-8

Structural Information

Molecular Formula

C₈H₉N₃O₂S

SMILES

CS(=O)(=O)N1C2=CC=CC=C2N=C1N

InChI

InChI=1S/C8H9N3O2S/c1-14(12,13)11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)

InChIKey

RZUVPGKUELYOQW-UHFFFAOYSA-N

Compound name

1-methylsulfonylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 211.04155 Da
Monoisotopic Mass: 0.7
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]+	212.04883	142.8
[M+Na]+	234.03077	154.7
[M+NH4]+	229.07537	150.2
[M+K]+	250.00471	149.8
[M-H]-	210.03427	143.2
[M+Na-2H]-	232.01622	147.9
[M]+	211.04100	144.9
[M]-	211.04210	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe