CID 3087600

N-ethyl-4-nitro-1h-benzimidazole-2-sulfonamide

Structural Information

Molecular Formula
C9H10N4O4S
SMILES
CCNS(=O)(=O)C1=NC2=C(N1)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4S/c1-2-10-18(16,17)9-11-6-4-3-5-7(13(14)15)8(6)12-9/h3-5,10H,2H2,1H3,(H,11,12)
InChIKey
RMXVVJGEEUATGV-UHFFFAOYSA-N
Compound name
N-ethyl-4-nitro-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.04227 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.049546 152.6
[M+Na]+ 293.031488 161.5
[M-H]- 269.034994 154.5
[M+NH4]+ 288.076093 167.9
[M+K]+ 309.005428 153.2
[M+H-H2O]+ 253.039530 150.7
[M+HCOO]- 315.040471 171.1
[M+CH3COO]- 329.056121 186.0
[M+Na-2H]- 291.016936 162.0
[M]+ 270.04172142 153.7
[M]- 270.04281858 153.7
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