CID 3047543

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

Structural Information

Molecular Formula
C34H40Cl2N4O2
SMILES
C1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)NC(=O)CN4CCCCC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C34H40Cl2N4O2/c35-29-15-11-27(12-16-29)33(37-31(41)23-39-19-3-1-4-20-39)25-7-9-26(10-8-25)34(28-13-17-30(36)18-14-28)38-32(42)24-40-21-5-2-6-22-40/h7-18,33-34H,1-6,19-24H2,(H,37,41)(H,38,42)
InChIKey
JICFULVYIXBFPV-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-[4-[(4-chlorophenyl)-[(2-piperidin-1-ylacetyl)amino]methyl]phenyl]methyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2528 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.26008 240.3
[M+Na]+ 629.24202 236.7
[M-H]- 605.24552 247.9
[M+NH4]+ 624.28662 238.2
[M+K]+ 645.21596 228.9
[M+H-H2O]+ 589.25006 226.0
[M+HCOO]- 651.25100 239.7
[M+CH3COO]- 665.26665 241.0
[M+Na-2H]- 627.22747 234.0
[M]+ 606.25225 234.2
[M]- 606.25335 234.2
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.