CID 5284369

Cinnamyl anthranilate

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+

InChIKey

GABQNAFEZZDSCM-RMKNXTFCSA-N

Compound name

[(E)-3-phenylprop-2-enyl] 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 15
References: 1534
Patents: 253.11028 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]+	254.11756	158.6
[M+Na]+	276.09950	164.8
[M-H]-	252.10300	164.6
[M+NH4]+	271.14410	174.7
[M+K]+	292.07344	160.4
[M+H-H2O]+	236.10754	150.7
[M+HCOO]-	298.10848	182.6
[M+CH3COO]-	312.12413	195.4
[M+Na-2H]-	274.08495	163.0
[M]+	253.10973	157.7
[M]-	253.11083	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe