CID 508785

2-pyrrolidinecarboxamide, n-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-[4-(1-methylethyl)benzoyl]-

Structural Information

Molecular Formula
C28H36ClN3O2
SMILES
CC(C)C1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H36ClN3O2/c1-20(2)23-7-9-24(10-8-23)28(34)32-15-3-4-26(32)27(33)30-18-21-13-16-31(17-14-21)19-22-5-11-25(29)12-6-22/h5-12,20-21,26H,3-4,13-19H2,1-2H3,(H,30,33)
InChIKey
SUWBAGDTOGXGQF-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-propan-2-ylbenzoyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.2496 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.25688 220.9
[M+Na]+ 504.23882 221.5
[M-H]- 480.24232 228.7
[M+NH4]+ 499.28342 226.8
[M+K]+ 520.21276 214.5
[M+H-H2O]+ 464.24686 209.1
[M+HCOO]- 526.24780 228.1
[M+CH3COO]- 540.26345 239.2
[M+Na-2H]- 502.22427 212.6
[M]+ 481.24905 216.9
[M]- 481.25015 216.9
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.