CID 3049045

64350-90-9

Structural Information

Molecular Formula
C25H29NO2
SMILES
CCC(=O)OC1(CC(N(CC1C)CC#CC2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO2/c1-4-24(27)28-25(23-15-9-6-10-16-23)18-21(3)26(19-20(25)2)17-11-14-22-12-7-5-8-13-22/h5-10,12-13,15-16,20-21H,4,17-19H2,1-3H3
InChIKey
SLHNLFIAXZQFIP-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(3-phenylprop-2-ynyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.227096 195.8
[M+Na]+ 398.209038 203.4
[M-H]- 374.212544 199.9
[M+NH4]+ 393.253643 206.3
[M+K]+ 414.182978 194.0
[M+H-H2O]+ 358.217080 179.8
[M+HCOO]- 420.218021 206.5
[M+CH3COO]- 434.233671 222.0
[M+Na-2H]- 396.194486 194.0
[M]+ 375.21927142 188.5
[M]- 375.22036858 188.5
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.