CID 274129

N,1-diethyl-2-methyl-5-benzimidazole-sulfonamide

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)C)CC
InChI
InChI=1S/C12H17N3O2S/c1-4-13-18(16,17)10-6-7-12-11(8-10)14-9(3)15(12)5-2/h6-8,13H,4-5H2,1-3H3
InChIKey
GSFUKRFHWRMTPL-UHFFFAOYSA-N
Compound name
N,1-diethyl-2-methylbenzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 160.0
[M+Na]+ 290.09338 171.5
[M-H]- 266.09688 163.2
[M+NH4]+ 285.13798 177.9
[M+K]+ 306.06732 167.1
[M+H-H2O]+ 250.10142 153.6
[M+HCOO]- 312.10236 178.1
[M+CH3COO]- 326.11801 197.8
[M+Na-2H]- 288.07883 164.3
[M]+ 267.10361 166.7
[M]- 267.10471 166.7
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

patents stripe