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]+ 334.107376 176.4
[M+Na]+ 356.089318 182.1
[M-H]- 332.092824 183.8
[M+NH4]+ 351.133923 187.6
[M+K]+ 372.063258 177.3
[M+H-H2O]+ 316.097360 167.4
[M+HCOO]- 378.098301 197.1
[M+CH3COO]- 392.113951 207.9
[M+Na-2H]- 354.074766 178.8
[M]+ 333.09955142 174.6
[M]- 333.10064858 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.