CID 514997

Schembl7456733

Structural Information

Molecular Formula
C30H41N3O2
SMILES
CCCCN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H41N3O2/c1-2-3-18-32-24-27(23-29(32)34)30(35)33(28-13-8-5-9-14-28)19-10-17-31-20-15-26(16-21-31)22-25-11-6-4-7-12-25/h4-9,11-14,26-27H,2-3,10,15-24H2,1H3
InChIKey
OSIBQQYUPGEQCY-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-butyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

475.3199 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.32718 221.9
[M+Na]+ 498.30912 220.4
[M-H]- 474.31262 230.1
[M+NH4]+ 493.35372 227.3
[M+K]+ 514.28306 214.5
[M+H-H2O]+ 458.31716 208.4
[M+HCOO]- 520.31810 235.3
[M+CH3COO]- 534.33375 242.3
[M+Na-2H]- 496.29457 215.0
[M]+ 475.31935 217.8
[M]- 475.32045 217.8
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