CID 570822

4-[(3-oxo-3-phenylpropanoyl)amino]benzoic acid

Structural Information

Molecular Formula
C16H13NO4
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H13NO4/c18-14(11-4-2-1-3-5-11)10-15(19)17-13-8-6-12(7-9-13)16(20)21/h1-9H,10H2,(H,17,19)(H,20,21)
InChIKey
WOQBMUQZUJEXTD-UHFFFAOYSA-N
Compound name
4-[(3-oxo-3-phenylpropanoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

283.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 164.1
[M+Na]+ 306.07369 175.3
[M+NH4]+ 301.11829 170.0
[M+K]+ 322.04763 170.3
[M-H]- 282.07719 166.5
[M+Na-2H]- 304.05914 170.9
[M]+ 283.08392 166.0
[M]- 283.08502 166.0
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