CID 459008

P-(p-nitrobenzamido)-benzoic acid, sodium salt

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O5/c17-13(9-3-7-12(8-4-9)16(20)21)15-11-5-1-10(2-6-11)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChIKey
NJLQPAFIERANQX-UHFFFAOYSA-N
Compound name
4-[(4-nitrobenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

62
Patents

286.05896 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 159.5
[M+Na]+ 309.04818 164.4
[M-H]- 285.05168 165.0
[M+NH4]+ 304.09278 172.5
[M+K]+ 325.02212 157.7
[M+H-H2O]+ 269.05622 156.1
[M+HCOO]- 331.05716 183.3
[M+CH3COO]- 345.07281 193.2
[M+Na-2H]- 307.03363 165.1
[M]+ 286.05841 156.9
[M]- 286.05951 156.9
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.