CID 515933

1-(2-nitrophenyl)sulfonylpyrrole-2-carboxamide

Structural Information

Molecular Formula
C11H9N3O5S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N2C=CC=C2C(=O)N
InChI
InChI=1S/C11H9N3O5S/c12-11(15)9-5-3-7-13(9)20(18,19)10-6-2-1-4-8(10)14(16)17/h1-7H,(H2,12,15)
InChIKey
WINMQWKNSFJWSW-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.0263 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03358 161.0
[M+Na]+ 318.01552 168.0
[M-H]- 294.01902 166.9
[M+NH4]+ 313.06012 175.2
[M+K]+ 333.98946 160.6
[M+H-H2O]+ 278.02356 158.3
[M+HCOO]- 340.02450 180.5
[M+CH3COO]- 354.04015 191.5
[M+Na-2H]- 316.00097 166.1
[M]+ 295.02575 160.4
[M]- 295.02685 160.4
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.