CID 514976

1-methyl-5-oxo-n-[3-(4-phenoxypiperidin-1-yl)propyl]-n-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C26H33N3O3
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)OC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H33N3O3/c1-27-20-21(19-25(27)30)26(31)29(22-9-4-2-5-10-22)16-8-15-28-17-13-24(14-18-28)32-23-11-6-3-7-12-23/h2-7,9-12,21,24H,8,13-20H2,1H3
InChIKey
XONDIZYSJLGIGR-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-N-[3-(4-phenoxypiperidin-1-yl)propyl]-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.2522 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25948 207.3
[M+Na]+ 458.24142 207.5
[M-H]- 434.24492 216.5
[M+NH4]+ 453.28602 214.4
[M+K]+ 474.21536 203.2
[M+H-H2O]+ 418.24946 194.6
[M+HCOO]- 480.25040 222.4
[M+CH3COO]- 494.26605 232.9
[M+Na-2H]- 456.22687 202.8
[M]+ 435.25165 203.5
[M]- 435.25275 203.5
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

No patent data available for this compound.