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

1
Patents

267.10416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.111436 160.0
[M+Na]+ 290.093378 171.5
[M-H]- 266.096884 163.2
[M+NH4]+ 285.137983 177.9
[M+K]+ 306.067318 167.1
[M+H-H2O]+ 250.101420 153.6
[M+HCOO]- 312.102361 178.1
[M+CH3COO]- 326.118011 197.8
[M+Na-2H]- 288.078826 164.3
[M]+ 267.10361142 166.7
[M]- 267.10470858 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