CID 216442

94386-48-8

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

COC(=O)C1=CC=CC=C1N=CC=CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-13H,1H3

InChIKey

OOJFPYZBLJTFST-UHFFFAOYSA-N

Compound name

methyl 2-(cinnamylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9
Patents: 265.1103 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]+	266.117576	161.4
[M+Na]+	288.099518	167.9
[M-H]-	264.103024	169.1
[M+NH4]+	283.144123	177.9
[M+K]+	304.073458	163.9
[M+H-H2O]+	248.107560	153.0
[M+HCOO]-	310.108501	187.3
[M+CH3COO]-	324.124151	200.1
[M+Na-2H]-	286.084966	166.7
[M]+	265.10975142	162.9
[M]-	265.11084858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe