CID 3015568

N-(2,3,4-trimethoxybenzylidene)aniline

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

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

InChI

InChI=1S/C16H17NO3/c1-18-14-10-9-12(15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-11H,1-3H3

InChIKey

OVYLXHZACDAJSQ-UHFFFAOYSA-N

Compound name

N-phenyl-1-(2,3,4-trimethoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 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]+	272.128126	161.0
[M+Na]+	294.110068	169.3
[M-H]-	270.113574	169.5
[M+NH4]+	289.154673	178.0
[M+K]+	310.084008	167.0
[M+H-H2O]+	254.118110	152.6
[M+HCOO]-	316.119051	188.1
[M+CH3COO]-	330.134701	203.6
[M+Na-2H]-	292.095516	166.7
[M]+	271.12030142	166.6
[M]-	271.12139858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.