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]+ 611.218636 242.6
[M+Na]+ 633.200578 240.1
[M-H]- 609.204084 252.2
[M+NH4]+ 628.245183 237.8
[M+K]+ 649.174518 236.2
[M+H-H2O]+ 593.208620 228.4
[M+HCOO]- 655.209561 241.1
[M+CH3COO]- 669.225211 243.9
[M+Na-2H]- 631.186026 237.8
[M]+ 610.21081142 239.8
[M]- 610.21190858 239.8
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.