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 147.9
[M+Na]+ 249.03043 160.5
[M+NH4]+ 244.07503 154.6
[M+K]+ 265.00437 155.6
[M-H]- 225.03393 147.0
[M+Na-2H]- 247.01588 152.0
[M]+ 226.04066 149.8
[M]- 226.04176 149.8
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.