67727-63-3 (C29H26N2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=CC4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C29H26N2O4/c1-34-28-16-22(7-13-26(28)32)18-30-24-9-3-20(4-10-24)15-21-5-11-25(12-6-21)31-19-23-8-14-27(33)29(17-23)35-2/h3-14,16-19,32-33H,15H2,1-2H3

InChIKey

GALYKHWSSQZFKS-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-2-methoxyphenol

Related CIDs

2D Structure

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]+	467.196546	216.6
[M+Na]+	489.178488	222.5
[M-H]-	465.181994	229.1
[M+NH4]+	484.223093	223.4
[M+K]+	505.152428	216.5
[M+H-H2O]+	449.186530	203.7
[M+HCOO]-	511.187471	240.8
[M+CH3COO]-	525.203121	241.5
[M+Na-2H]-	487.163936	218.0
[M]+	466.18872142	219.9
[M]-	466.18981858	219.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.196546

216.6

[M+Na]+

489.178488

222.5

[M-H]-

465.181994

229.1

[M+NH4]+

484.223093

223.4

[M+K]+

505.152428

216.5

[M+H-H2O]+

449.186530

203.7

[M+HCOO]-

511.187471

240.8

[M+CH3COO]-

525.203121

241.5

[M+Na-2H]-

487.163936

218.0

[M]+

466.18872142

219.9

[M]-

466.18981858

219.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

67727-63-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe