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]+ 227.04849 145.9
[M+Na]+ 249.03043 159.3
[M-H]- 225.03393 148.4
[M+NH4]+ 244.07503 165.1
[M+K]+ 265.00437 154.9
[M+H-H2O]+ 209.03847 140.8
[M+HCOO]- 271.03941 162.9
[M+CH3COO]- 285.05506 182.7
[M+Na-2H]- 247.01588 150.7
[M]+ 226.04066 151.3
[M]- 226.04176 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.