CID 202307

10082-90-3

Structural Information

Molecular Formula
C26H33NO3
SMILES
CC1CC(C(CN1CC=C)C)OC(=O)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C26H33NO3/c1-5-15-27-18-19(2)25(16-20(27)3)30-26(28)24(22-9-7-6-8-10-22)17-21-11-13-23(29-4)14-12-21/h5-14,19-20,24-25H,1,15-18H2,2-4H3
InChIKey
DFEFQZAIIMAWLF-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-1-prop-2-enylpiperidin-4-yl) 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.24603 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25331 203.3
[M+Na]+ 430.23525 206.1
[M-H]- 406.23875 209.9
[M+NH4]+ 425.27985 211.9
[M+K]+ 446.20919 201.1
[M+H-H2O]+ 390.24329 192.2
[M+HCOO]- 452.24423 218.0
[M+CH3COO]- 466.25988 227.6
[M+Na-2H]- 428.22070 199.2
[M]+ 407.24548 202.9
[M]- 407.24658 202.9
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.