CID 118988926

2-ethyl-7-nitro-1h-benzo[d]imidazole-5-sulfonamide

Structural Information

Molecular Formula
C9H10N4O4S
SMILES
CCC1=NC2=C(N1)C=C(C=C2[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C9H10N4O4S/c1-2-8-11-6-3-5(18(10,16)17)4-7(13(14)15)9(6)12-8/h3-4H,2H2,1H3,(H,11,12)(H2,10,16,17)
InChIKey
WCERSDGBFWYIDC-UHFFFAOYSA-N
Compound name
2-ethyl-7-nitro-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

270.04227 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.049546 153.1
[M+Na]+ 293.031488 162.8
[M-H]- 269.034994 154.9
[M+NH4]+ 288.076093 168.4
[M+K]+ 309.005428 154.2
[M+H-H2O]+ 253.039530 151.5
[M+HCOO]- 315.040471 170.9
[M+CH3COO]- 329.056121 186.5
[M+Na-2H]- 291.016936 160.9
[M]+ 270.04172142 153.6
[M]- 270.04281858 153.6
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

No patent data available for this compound.