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]+ 271.04955 153.1
[M+Na]+ 293.03149 162.8
[M-H]- 269.03499 154.9
[M+NH4]+ 288.07609 168.4
[M+K]+ 309.00543 154.2
[M+H-H2O]+ 253.03953 151.5
[M+HCOO]- 315.04047 170.9
[M+CH3COO]- 329.05612 186.5
[M+Na-2H]- 291.01694 160.9
[M]+ 270.04172 153.6
[M]- 270.04282 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.