CID 3047544

1',4'-bis(4-chlorophenyl)-1',4'-bis-n'-morpholinoacetamido-p-xylene

Structural Information

Molecular Formula
C32H36Cl2N4O4
SMILES
C1COCCN1CC(=O)NC(C2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)NC(=O)CN4CCOCC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C32H36Cl2N4O4/c33-27-9-5-25(6-10-27)31(35-29(39)21-37-13-17-41-18-14-37)23-1-2-24(4-3-23)32(26-7-11-28(34)12-8-26)36-30(40)22-38-15-19-42-20-16-38/h1-12,31-32H,13-22H2,(H,35,39)(H,36,40)
InChIKey
ILAYTISIIYBCQX-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-[4-[(4-chlorophenyl)-[(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

610.21136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.21864 246.4
[M+Na]+ 633.20058 258.6
[M+NH4]+ 628.24518 251.0
[M+K]+ 649.17452 250.7
[M-H]- 609.20408 257.0
[M+Na-2H]- 631.18603 253.2
[M]+ 610.21081 251.5
[M]- 610.21191 251.5
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.