CID 31635

Enfenamic acid

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1=CC=C(C=C1)CCNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H15NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,17,18)

InChIKey

HLNLBEFKHHCAMV-UHFFFAOYSA-N

Compound name

2-(2-phenylethylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 31
References: 4066
Patents: 241.11028 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.117556	154.2
[M+Na]+	264.099498	159.9
[M-H]-	240.103004	159.3
[M+NH4]+	259.144103	170.2
[M+K]+	280.073438	155.8
[M+H-H2O]+	224.107540	146.6
[M+HCOO]-	286.108481	177.4
[M+CH3COO]-	300.124131	192.6
[M+Na-2H]-	262.084946	159.7
[M]+	241.10973142	152.9
[M]-	241.11082858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe