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]+ 380.258406 195.9
[M+Na]+ 402.240348 200.7
[M-H]- 378.243854 203.2
[M+NH4]+ 397.284953 210.0
[M+K]+ 418.214288 196.0
[M+H-H2O]+ 362.248390 185.7
[M+HCOO]- 424.249331 211.9
[M+CH3COO]- 438.264981 220.3
[M+Na-2H]- 400.225796 196.4
[M]+ 379.25058142 195.5
[M]- 379.25167858 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.