CID 508760

Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl](3,3-diphenylpropyl)amino]-2-oxoethyl]-

Structural Information

Molecular Formula
C37H40ClN3O2
SMILES
C1CN(CCC1CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C37H40ClN3O2/c38-34-18-16-29(17-19-34)27-40-23-20-30(21-24-40)28-41(36(42)26-39-37(43)33-14-8-3-9-15-33)25-22-35(31-10-4-1-5-11-31)32-12-6-2-7-13-32/h1-19,30,35H,20-28H2,(H,39,43)
InChIKey
UCKSMYDKHIYCES-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl-(3,3-diphenylpropyl)amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.2809 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.28818 245.4
[M+Na]+ 616.27012 242.4
[M-H]- 592.27362 256.4
[M+NH4]+ 611.31472 244.8
[M+K]+ 632.24406 234.8
[M+H-H2O]+ 576.27816 230.2
[M+HCOO]- 638.27910 255.1
[M+CH3COO]- 652.29475 247.6
[M+Na-2H]- 614.25557 241.3
[M]+ 593.28035 242.7
[M]- 593.28145 242.7
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.