CID 3047545

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

Structural Information

Molecular Formula
C34H42N4O4
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.3206 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.32788 240.8
[M+Na]+ 593.30982 236.0
[M-H]- 569.31332 250.8
[M+NH4]+ 588.35442 235.5
[M+K]+ 609.28376 233.4
[M+H-H2O]+ 553.31786 225.4
[M+HCOO]- 615.31880 247.6
[M+CH3COO]- 629.33445 242.0
[M+Na-2H]- 591.29527 235.9
[M]+ 570.32005 233.4
[M]- 570.32115 233.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.