CID 8615

Phenethyl anthranilate

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2

InChIKey

PXWNBAGCFUDYBE-UHFFFAOYSA-N

Compound name

2-phenylethyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 526
Patents: 241.11028 Da
Monoisotopic Mass: 4.2
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	154.9
[M+Na]+	264.099498	161.1
[M-H]-	240.103004	161.0
[M+NH4]+	259.144103	171.5
[M+K]+	280.073438	157.6
[M+H-H2O]+	224.107540	147.1
[M+HCOO]-	286.108481	179.0
[M+CH3COO]-	300.124131	193.8
[M+Na-2H]-	262.084946	159.8
[M]+	241.10973142	154.4
[M]-	241.11082858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe