CID 3043800

Jdl 171

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]+ 295.04955 157.6
[M+Na]+ 317.03149 164.0
[M-H]- 293.03499 163.0
[M+NH4]+ 312.07609 169.8
[M+K]+ 333.00543 155.5
[M+H-H2O]+ 277.03953 153.7
[M+HCOO]- 339.04047 177.9
[M+CH3COO]- 353.05612 194.9
[M+Na-2H]- 315.01694 166.4
[M]+ 294.04172 155.4
[M]- 294.04282 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.