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 152.6
[M+Na]+ 293.03149 161.5
[M-H]- 269.03499 154.5
[M+NH4]+ 288.07609 167.9
[M+K]+ 309.00543 153.2
[M+H-H2O]+ 253.03953 150.7
[M+HCOO]- 315.04047 171.1
[M+CH3COO]- 329.05612 186.0
[M+Na-2H]- 291.01694 162.0
[M]+ 270.04172 153.7
[M]- 270.04282 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