CID 22997045

1-(methylsulfonyl)-1h-benzimidazol-2-amine

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

21
Patents

211.04155 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.048826 142.4
[M+Na]+ 234.030768 154.9
[M-H]- 210.034274 145.5
[M+NH4]+ 229.075373 162.1
[M+K]+ 250.004708 151.1
[M+H-H2O]+ 194.038810 136.6
[M+HCOO]- 256.039751 161.3
[M+CH3COO]- 270.055401 184.0
[M+Na-2H]- 232.016216 148.3
[M]+ 211.04100142 146.4
[M]- 211.04209858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe