CID 736198

2-[(4-phenoxyanilino)carbonyl]benzoic acid

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H15NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24)
InChIKey
HYCRWYWSIPMWFA-UHFFFAOYSA-N
Compound name
2-[(4-phenoxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
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 176.3
[M+Na]+ 356.08932 181.6
[M-H]- 332.09282 184.6
[M+NH4]+ 351.13392 187.9
[M+K]+ 372.06326 177.4
[M+H-H2O]+ 316.09736 166.8
[M+HCOO]- 378.09830 198.5
[M+CH3COO]- 392.11395 208.8
[M+Na-2H]- 354.07477 179.9
[M]+ 333.09955 175.9
[M]- 333.10065 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe