CID 515008

Schembl7466859

Structural Information

Molecular Formula
C32H38N4O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)C4CC(=O)N(C4)CC5=CC=NC=C5
InChI
InChI=1S/C32H38N4O2/c37-31-23-29(25-35(31)24-28-12-16-33-17-13-28)32(38)36(30-10-5-2-6-11-30)19-7-18-34-20-14-27(15-21-34)22-26-8-3-1-4-9-26/h1-6,8-13,16-17,27,29H,7,14-15,18-25H2
InChIKey
OLIBZRXOOXSOOA-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

510.29947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.30675 226.5
[M+Na]+ 533.28869 225.0
[M-H]- 509.29219 236.3
[M+NH4]+ 528.33329 228.2
[M+K]+ 549.26263 218.0
[M+H-H2O]+ 493.29673 210.8
[M+HCOO]- 555.29767 238.7
[M+CH3COO]- 569.31332 230.1
[M+Na-2H]- 531.27414 221.0
[M]+ 510.29892 220.6
[M]- 510.30002 220.6
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.