CID 719684

2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-sulfonamide

Structural Information

Molecular Formula
C7H7N3O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)NC(=O)N2
InChI
InChI=1S/C7H7N3O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,8,12,13)(H2,9,10,11)
InChIKey
YHLDMCWKIATRTK-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

213.02081 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.028086 141.2
[M+Na]+ 236.010028 153.2
[M-H]- 212.013534 141.6
[M+NH4]+ 231.054633 159.1
[M+K]+ 251.983968 147.8
[M+H-H2O]+ 196.018070 136.0
[M+HCOO]- 258.019011 157.7
[M+CH3COO]- 272.034661 177.6
[M+Na-2H]- 233.995476 147.0
[M]+ 213.02026142 141.8
[M]- 213.02135858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe