CID 202324

Propionic acid, 3-(p-methoxyphenyl)-2-phenyl-, 1,2,5-trimethyl-4-piperidyl ester, hydrochloride

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC1CC(C(CN1C)C)OC(=O)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO3/c1-17-16-25(3)18(2)14-23(17)28-24(26)22(20-8-6-5-7-9-20)15-19-10-12-21(27-4)13-11-19/h5-13,17-18,22-23H,14-16H2,1-4H3
InChIKey
AGCNFMRHFWVMKZ-UHFFFAOYSA-N
Compound name
(1,2,5-trimethylpiperidin-4-yl) 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 195.6
[M+Na]+ 404.219618 199.0
[M-H]- 380.223124 202.7
[M+NH4]+ 399.264223 205.4
[M+K]+ 420.193558 195.1
[M+H-H2O]+ 364.227660 184.9
[M+HCOO]- 426.228601 210.9
[M+CH3COO]- 440.244251 222.5
[M+Na-2H]- 402.205066 192.6
[M]+ 381.22985142 195.3
[M]- 381.23094858 195.3
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.