CID 162275

Methyl 2-[(phenylmethylene)amino]benzoate

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

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

InChI

InChI=1S/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3

InChIKey

ZCFRWOFFFLZLDU-UHFFFAOYSA-N

Compound name

methyl 2-(benzylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 239.09464 Da
Monoisotopic Mass: 3.1
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]+	240.10192	154.2
[M+Na]+	262.08386	168.5
[M+NH4]+	257.12846	162.8
[M+K]+	278.05780	160.4
[M-H]-	238.08736	159.5
[M+Na-2H]-	260.06931	164.3
[M]+	239.09409	157.7
[M]-	239.09519	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe