CID 203330

4-piperidinol, 1-(3,3-diphenyl-2-propenyl)-4-phenyl-, propionate, oxalate (1:1)

Structural Information

Molecular Formula
C29H31NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H31NO2/c1-2-28(31)32-29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-18H,2,19-23H2,1H3
InChIKey
OMWVMORXWCFJMV-UHFFFAOYSA-N
Compound name
[1-(3,3-diphenylprop-2-enyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.23547 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24275 209.7
[M+Na]+ 448.22469 224.3
[M+NH4]+ 443.26929 218.6
[M+K]+ 464.19863 212.0
[M-H]- 424.22819 217.6
[M+Na-2H]- 446.21014 221.8
[M]+ 425.23492 214.3
[M]- 425.23602 214.3
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.