4,4'-methylenebis(n-(2-hydroxy-1-naphthylmethylene)aniline) (C35H26N2O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=CC5=C(C=CC6=CC=CC=C65)O)O

InChI

InChI=1S/C35H26N2O2/c38-34-19-13-26-5-1-3-7-30(26)32(34)22-36-28-15-9-24(10-16-28)21-25-11-17-29(18-12-25)37-23-33-31-8-4-2-6-27(31)14-20-35(33)39/h1-20,22-23,38-39H,21H2

InChIKey

FECLBTRXQLVKAQ-UHFFFAOYSA-N

Compound name

1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol

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]+	507.206706	227.4
[M+Na]+	529.188648	234.1
[M-H]-	505.192154	240.7
[M+NH4]+	524.233253	233.8
[M+K]+	545.162588	224.7
[M+H-H2O]+	489.196690	213.0
[M+HCOO]-	551.197631	248.9
[M+CH3COO]-	565.213281	234.5
[M+Na-2H]-	527.174096	232.2
[M]+	506.19888142	227.9
[M]-	506.19997858	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.206706

227.4

[M+Na]+

529.188648

234.1

[M-H]-

505.192154

240.7

[M+NH4]+

524.233253

233.8

[M+K]+

545.162588

224.7

[M+H-H2O]+

489.196690

213.0

[M+HCOO]-

551.197631

248.9

[M+CH3COO]-

565.213281

234.5

[M+Na-2H]-

527.174096

232.2

[M]+

506.19888142

227.9

[M]-

506.19997858

227.9

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

4,4'-methylenebis(n-(2-hydroxy-1-naphthylmethylene)aniline)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe