CID 47011

4-(3-phenylsalicyldyl)aminobenzoic sodium

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C20H15NO4/c22-18-16(13-5-2-1-3-6-13)7-4-8-17(18)19(23)21-15-11-9-14(10-12-15)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
InChIKey
UUKOMKGDBLVJJE-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-3-phenylbenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1001 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 176.4
[M+Na]+ 356.08932 182.1
[M-H]- 332.09282 183.8
[M+NH4]+ 351.13392 187.6
[M+K]+ 372.06326 177.3
[M+H-H2O]+ 316.09736 167.4
[M+HCOO]- 378.09830 197.1
[M+CH3COO]- 392.11395 207.9
[M+Na-2H]- 354.07477 178.8
[M]+ 333.09955 174.6
[M]- 333.10065 174.6
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.