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]+ 376.22710 195.8
[M+Na]+ 398.20904 203.4
[M-H]- 374.21254 199.9
[M+NH4]+ 393.25364 206.3
[M+K]+ 414.18298 194.0
[M+H-H2O]+ 358.21708 179.8
[M+HCOO]- 420.21802 206.5
[M+CH3COO]- 434.23367 222.0
[M+Na-2H]- 396.19449 194.0
[M]+ 375.21927 188.5
[M]- 375.22037 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.