CID 52270

P-(o-methoxybenzylidene)aminobenzoic acid ethyl ester

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2OC

InChI

InChI=1S/C17H17NO3/c1-3-21-17(19)13-8-10-15(11-9-13)18-12-14-6-4-5-7-16(14)20-2/h4-12H,3H2,1-2H3

InChIKey

CWDFJALWJPSIIY-UHFFFAOYSA-N

Compound name

ethyl 4-[(2-methoxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.12085 Da
Monoisotopic Mass: 3.4
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]+	284.128126	165.2
[M+Na]+	306.110068	172.2
[M-H]-	282.113574	173.3
[M+NH4]+	301.154673	181.3
[M+K]+	322.084008	169.5
[M+H-H2O]+	266.118110	156.6
[M+HCOO]-	328.119051	191.2
[M+CH3COO]-	342.134701	204.8
[M+Na-2H]-	304.095516	169.8
[M]+	283.12030142	169.3
[M]-	283.12139858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe