CID 3092847

3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide

Structural Information

Molecular Formula
C10H11N3O5S
SMILES
C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)
InChIKey
FPCPYSKJIRSWIG-UHFFFAOYSA-N
Compound name
3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

84
Patents

285.04193 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04921 158.6
[M+Na]+ 308.03115 165.3
[M-H]- 284.03465 164.2
[M+NH4]+ 303.07575 173.5
[M+K]+ 324.00509 158.0
[M+H-H2O]+ 268.03919 156.4
[M+HCOO]- 330.04013 176.6
[M+CH3COO]- 344.05578 189.7
[M+Na-2H]- 306.01660 163.0
[M]+ 285.04138 156.0
[M]- 285.04248 156.0
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

patents stripe