CID 99325

18704-92-2

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13NO4/c17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
RKNMVALGNSLQQL-UHFFFAOYSA-N
Compound name
2-[(2-phenoxyacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

271.08447 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 161.0
[M+Na]+ 294.07369 172.7
[M+NH4]+ 289.11829 167.4
[M+K]+ 310.04763 167.2
[M-H]- 270.07719 163.9
[M+Na-2H]- 292.05914 168.5
[M]+ 271.08392 163.2
[M]- 271.08502 163.2
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