CID 53412316

800375-15-9

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC=CC=C2)N

InChI

InChI=1S/C14H13NO2/c1-17-14(16)12-8-7-11(9-13(12)15)10-5-3-2-4-6-10/h2-9H,15H2,1H3

InChIKey

VFGHBOADZPXLKY-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-phenylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 227.09464 Da
Monoisotopic Mass: 3.5
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]+	228.10192	150.1
[M+Na]+	250.08386	157.7
[M-H]-	226.08736	156.8
[M+NH4]+	245.12846	167.6
[M+K]+	266.05780	154.5
[M+H-H2O]+	210.09190	142.7
[M+HCOO]-	272.09284	174.6
[M+CH3COO]-	286.10849	192.0
[M+Na-2H]-	248.06931	154.8
[M]+	227.09409	149.7
[M]-	227.09519	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe