CID 515013

Schembl7460443

Structural Information

Molecular Formula
C33H37Cl2N3O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC(=C(C=C3)Cl)Cl)C(=O)C4CC(=O)N(C4)CC5=CC=CC=C5
InChI
InChI=1S/C33H37Cl2N3O2/c34-30-13-12-29(22-31(30)35)38(33(40)28-21-32(39)37(24-28)23-27-10-5-2-6-11-27)17-7-16-36-18-14-26(15-19-36)20-25-8-3-1-4-9-25/h1-6,8-13,22,26,28H,7,14-21,23-24H2
InChIKey
BFKJUWWBLJSSRU-UHFFFAOYSA-N
Compound name
1-benzyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

577.22626 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.23354 243.5
[M+Na]+ 600.21548 244.8
[M-H]- 576.21898 254.0
[M+NH4]+ 595.26008 246.1
[M+K]+ 616.18942 236.0
[M+H-H2O]+ 560.22352 229.0
[M+HCOO]- 622.22446 247.2
[M+CH3COO]- 636.24011 246.8
[M+Na-2H]- 598.20093 234.4
[M]+ 577.22571 242.8
[M]- 577.22681 242.8
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.