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

8
Patents

270.04227 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04955 151.1
[M+Na]+ 293.03149 161.8
[M+NH4]+ 288.07609 156.8
[M+K]+ 309.00543 160.7
[M-H]- 269.03499 151.5
[M+Na-2H]- 291.01694 155.2
[M]+ 270.04172 152.7
[M]- 270.04282 152.7
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