CID 514225

2-methyl-1-[(3s,4s)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]propan-1-one

Structural Information

Molecular Formula
C26H34N2O
SMILES
CC(C)C(=O)N1C[C@@H]([C@H](C1)C2=CC=CC=C2)CN3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C26H34N2O/c1-20(2)26(29)28-18-24(25(19-28)23-11-7-4-8-12-23)17-27-15-13-22(14-16-27)21-9-5-3-6-10-21/h3-12,20,22,24-25H,13-19H2,1-2H3/t24-,25+/m0/s1
InChIKey
YNQMPJFHSIAFTF-LOSJGSFVSA-N
Compound name
2-methyl-1-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.26712 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 200.2
[M+Na]+ 413.25634 201.1
[M-H]- 389.25984 208.1
[M+NH4]+ 408.30094 209.2
[M+K]+ 429.23028 195.0
[M+H-H2O]+ 373.26438 188.3
[M+HCOO]- 435.26532 212.3
[M+CH3COO]- 449.28097 206.7
[M+Na-2H]- 411.24179 194.0
[M]+ 390.26657 193.1
[M]- 390.26767 193.1
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.