CID 64838

20811-90-9

Structural Information

Molecular Formula
C25H33NO2
SMILES
CC1(CC(CC(N1CC2=CC=CC=C2)(C)C)OC(=O)CCC3=CC=CC=C3)C
InChI
InChI=1S/C25H33NO2/c1-24(2)17-22(28-23(27)16-15-20-11-7-5-8-12-20)18-25(3,4)26(24)19-21-13-9-6-10-14-21/h5-14,22H,15-19H2,1-4H3
InChIKey
HOGLVZDRLPOPQS-UHFFFAOYSA-N
Compound name
(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 195.9
[M+Na]+ 402.24035 200.7
[M-H]- 378.24385 203.2
[M+NH4]+ 397.28495 210.0
[M+K]+ 418.21429 196.0
[M+H-H2O]+ 362.24839 185.7
[M+HCOO]- 424.24933 211.9
[M+CH3COO]- 438.26498 220.3
[M+Na-2H]- 400.22580 196.4
[M]+ 379.25058 195.5
[M]- 379.25168 195.5
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.