PubChemLite - 122738-21-0 (C40H36N2O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3

InChIKey

WPUSEOSICYGUEW-UHFFFAOYSA-N

Compound name

4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline

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]+	609.27478	258.7
[M+Na]+	631.25672	278.0
[M+NH4]+	626.30132	266.1
[M+K]+	647.23066	265.3
[M-H]-	607.26022	274.0
[M+Na-2H]-	629.24217	274.8
[M]+	608.26695	266.4
[M]-	608.26805	266.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.27478

258.7

[M+Na]+

631.25672

278.0

[M+NH4]+

626.30132

266.1

[M+K]+

647.23066

265.3

[M-H]-

607.26022

274.0

[M+Na-2H]-

629.24217

274.8

[M]+

608.26695

266.4

[M]-

608.26805

266.4

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

122738-21-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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