CID 274129

4979-75-3

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 160.9
[M+Na]+ 290.09338 172.6
[M+NH4]+ 285.13798 167.8
[M+K]+ 306.06732 166.8
[M-H]- 266.09688 161.4
[M+Na-2H]- 288.07883 165.3
[M]+ 267.10361 163.1
[M]- 267.10471 163.1
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.