PubChemLite - Tetrakis(salicylideneaminoethyl)methane (C33H32N4O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C=NCC(CN=CC2=CC=CC=C2O)(CN=CC3=CC=CC=C3O)CN=CC4=CC=CC=C4O)O

InChI

InChI=1S/C33H32N4O4/c38-29-13-5-1-9-25(29)17-34-21-33(22-35-18-26-10-2-6-14-30(26)39,23-36-19-27-11-3-7-15-31(27)40)24-37-20-28-12-4-8-16-32(28)41/h1-20,38-41H,21-24H2

InChIKey

AUGGJOPHYLIYTD-UHFFFAOYSA-N

Compound name

2-[[3-[(2-hydroxyphenyl)methylideneamino]-2,2-bis[[(2-hydroxyphenyl)methylideneamino]methyl]propyl]iminomethyl]phenol

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]+	549.24968	233.4
[M+Na]+	571.23162	234.9
[M-H]-	547.23512	244.4
[M+NH4]+	566.27622	235.6
[M+K]+	587.20556	228.1
[M+H-H2O]+	531.23966	219.8
[M+HCOO]-	593.24060	257.0
[M+CH3COO]-	607.25625	259.0
[M+Na-2H]-	569.21707	237.3
[M]+	548.24185	233.9
[M]-	548.24295	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.24968

233.4

[M+Na]+

571.23162

234.9

[M-H]-

547.23512

244.4

[M+NH4]+

566.27622

235.6

[M+K]+

587.20556

228.1

[M+H-H2O]+

531.23966

219.8

[M+HCOO]-

593.24060

257.0

[M+CH3COO]-

607.25625

259.0

[M+Na-2H]-

569.21707

237.3

[M]+

548.24185

233.9

[M]-

548.24295

233.9

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

Tetrakis(salicylideneaminoethyl)methane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe