CID 515000

Schembl7469878

Structural Information

Molecular Formula
C32H37N3O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5
InChI
InChI=1S/C32H37N3O2/c36-31-24-28(25-35(31)30-15-8-3-9-16-30)32(37)34(29-13-6-2-7-14-29)20-10-19-33-21-17-27(18-22-33)23-26-11-4-1-5-12-26/h1-9,11-16,27-28H,10,17-25H2
InChIKey
ABFBPFPFJRLKHF-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

495.28857 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.29585 223.6
[M+Na]+ 518.27779 222.2
[M-H]- 494.28129 234.7
[M+NH4]+ 513.32239 227.3
[M+K]+ 534.25173 215.5
[M+H-H2O]+ 478.28583 208.9
[M+HCOO]- 540.28677 237.2
[M+CH3COO]- 554.30242 228.0
[M+Na-2H]- 516.26324 217.8
[M]+ 495.28802 217.2
[M]- 495.28912 217.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe