CID 16770262

926273-24-7

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CO
InChI
InChI=1S/C10H13N3O3S/c1-13(2)17(15,16)7-3-4-8-9(5-7)12-10(6-14)11-8/h3-5,14H,6H2,1-2H3,(H,11,12)
InChIKey
WYMPQKYRTZUHPS-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06776 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 154.1
[M+Na]+ 278.05698 164.5
[M-H]- 254.06048 156.0
[M+NH4]+ 273.10158 171.3
[M+K]+ 294.03092 161.0
[M+H-H2O]+ 238.06502 148.1
[M+HCOO]- 300.06596 170.6
[M+CH3COO]- 314.08161 191.2
[M+Na-2H]- 276.04243 159.0
[M]+ 255.06721 158.8
[M]- 255.06831 158.8
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.