CID 49768289

2-[(3-hydroxy-4-phenoxycarbonyl-phenyl)carbamoyl]benzoic acid

Structural Information

Molecular Formula
C21H15NO6
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C21H15NO6/c23-18-12-13(22-19(24)15-8-4-5-9-16(15)20(25)26)10-11-17(18)21(27)28-14-6-2-1-3-7-14/h1-12,23H,(H,22,24)(H,25,26)
InChIKey
OTDYHJDTRXIZQF-UHFFFAOYSA-N
Compound name
2-[(3-hydroxy-4-phenoxycarbonylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08994 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09722 185.2
[M+Na]+ 400.07916 190.0
[M-H]- 376.08266 192.5
[M+NH4]+ 395.12376 194.2
[M+K]+ 416.05310 186.7
[M+H-H2O]+ 360.08720 175.7
[M+HCOO]- 422.08814 205.1
[M+CH3COO]- 436.10379 215.1
[M+Na-2H]- 398.06461 186.3
[M]+ 377.08939 185.2
[M]- 377.09049 185.2
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.