CID 165921295

4-methanesulfonyl-1-methyl-1h-1,3-benzodiazol-2-ol

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
CN1C2=C(C(=CC=C2)S(=O)(=O)C)NC1=O
InChI
InChI=1S/C9H10N2O3S/c1-11-6-4-3-5-7(15(2,13)14)8(6)10-9(11)12/h3-5H,1-2H3,(H,10,12)
InChIKey
ZQJJFEOVNMVREP-UHFFFAOYSA-N
Compound name
3-methyl-7-methylsulfonyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.048486 145.9
[M+Na]+ 249.030428 159.3
[M-H]- 225.033934 148.4
[M+NH4]+ 244.075033 165.1
[M+K]+ 265.004368 154.9
[M+H-H2O]+ 209.038470 140.8
[M+HCOO]- 271.039411 162.9
[M+CH3COO]- 285.055061 182.7
[M+Na-2H]- 247.015876 150.7
[M]+ 226.04066142 151.3
[M]- 226.04175858 151.3
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

No patent data available for this compound.