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]+ 426.242746 209.8
[M+Na]+ 448.224688 210.9
[M-H]- 424.228194 218.4
[M+NH4]+ 443.269293 218.0
[M+K]+ 464.198628 204.3
[M+H-H2O]+ 408.232730 196.8
[M+HCOO]- 470.233671 224.3
[M+CH3COO]- 484.249321 215.9
[M+Na-2H]- 446.210136 209.2
[M]+ 425.23492142 204.9
[M]- 425.23601858 204.9
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.