CID 37554

2-(p-nitrobenzamido)nicotinic acid

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=C(N=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C13H9N3O5/c17-12(8-3-5-9(6-4-8)16(20)21)15-11-10(13(18)19)2-1-7-14-11/h1-7H,(H,18,19)(H,14,15,17)
InChIKey
AHVZWIOHDYMAPH-UHFFFAOYSA-N
Compound name
2-[(4-nitrobenzoyl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.05423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06151 158.3
[M+Na]+ 310.04345 163.6
[M-H]- 286.04695 162.7
[M+NH4]+ 305.08805 169.9
[M+K]+ 326.01739 156.9
[M+H-H2O]+ 270.05149 154.2
[M+HCOO]- 332.05243 181.2
[M+CH3COO]- 346.06808 192.9
[M+Na-2H]- 308.02890 165.0
[M]+ 287.05368 155.8
[M]- 287.05478 155.8
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