CID 10334118

697235-49-7

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
InChIKey
DLFOKZQWYFNKCL-UHFFFAOYSA-N
Compound name
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

934
Patents

285.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 165.7
[M+Na]+ 308.08932 177.0
[M+NH4]+ 303.13392 171.6
[M+K]+ 324.06326 171.8
[M-H]- 284.09282 168.1
[M+Na-2H]- 306.07477 172.1
[M]+ 285.09955 167.7
[M]- 285.10065 167.7
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