CID 107503

4112-08-7

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H15NO3/c1-19-15-9-3-12(4-10-15)11-17-14-7-5-13(6-8-14)16(18)20-2/h3-11H,1-2H3

InChIKey

MKAJIWRJVNVWRN-UHFFFAOYSA-N

Compound name

methyl 4-[(4-methoxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.1052 Da
Monoisotopic Mass: 3.6
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]+	270.112476	160.5
[M+Na]+	292.094418	167.9
[M-H]-	268.097924	168.8
[M+NH4]+	287.139023	177.2
[M+K]+	308.068358	165.5
[M+H-H2O]+	252.102460	152.2
[M+HCOO]-	314.103401	186.8
[M+CH3COO]-	328.119051	201.8
[M+Na-2H]-	290.079866	165.7
[M]+	269.10465142	164.3
[M]-	269.10574858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe