CID 3043800

3-pyridinesulfonamide, 4-((4-nitrophenyl)amino)-

Structural Information

Molecular Formula
C11H10N4O4S
SMILES
C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H10N4O4S/c12-20(18,19)11-7-13-6-5-10(11)14-8-1-3-9(4-2-8)15(16)17/h1-7H,(H,13,14)(H2,12,18,19)
InChIKey
YNIMZEVPAKMDLE-UHFFFAOYSA-N
Compound name
4-(4-nitroanilino)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04227 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.049546 157.6
[M+Na]+ 317.031488 164.0
[M-H]- 293.034994 163.0
[M+NH4]+ 312.076093 169.8
[M+K]+ 333.005428 155.5
[M+H-H2O]+ 277.039530 153.7
[M+HCOO]- 339.040471 177.9
[M+CH3COO]- 353.056121 194.9
[M+Na-2H]- 315.016936 166.4
[M]+ 294.04172142 155.4
[M]- 294.04281858 155.4
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

No patent data available for this compound.