1',4'-bis(4-methylphenyl)-1',4'-bis-n'-morpholino acetamido-p-xylene (C34H42N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C3=CC=C(C=C3)C)NC(=O)CN4CCOCC4)NC(=O)CN5CCOCC5

InChI

InChI=1S/C34H42N4O4/c1-25-3-7-27(8-4-25)33(35-31(39)23-37-15-19-41-20-16-37)29-11-13-30(14-12-29)34(28-9-5-26(2)6-10-28)36-32(40)24-38-17-21-42-22-18-38/h3-14,33-34H,15-24H2,1-2H3,(H,35,39)(H,36,40)

InChIKey

XASQVSUKERIOFD-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)-[4-[(4-methylphenyl)-[(2-morpholin-4-ylacetyl)amino]methyl]phenyl]methyl]-2-morpholin-4-ylacetamide

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]+	571.327876	240.8
[M+Na]+	593.309818	236.0
[M-H]-	569.313324	250.8
[M+NH4]+	588.354423	235.5
[M+K]+	609.283758	233.4
[M+H-H2O]+	553.317860	225.4
[M+HCOO]-	615.318801	247.6
[M+CH3COO]-	629.334451	242.0
[M+Na-2H]-	591.295266	235.9
[M]+	570.32005142	233.4
[M]-	570.32114858	233.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.327876

240.8

[M+Na]+

593.309818

236.0

[M-H]-

569.313324

250.8

[M+NH4]+

588.354423

235.5

[M+K]+

609.283758

233.4

[M+H-H2O]+

553.317860

225.4

[M+HCOO]-

615.318801

247.6

[M+CH3COO]-

629.334451

242.0

[M+Na-2H]-

591.295266

235.9

[M]+

570.32005142

233.4

[M]-

570.32114858

233.4

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

1',4'-bis(4-methylphenyl)-1',4'-bis-n'-morpholino acetamido-p-xylene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe