CID 202324

10107-54-7

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]+ 382.23768 195.6
[M+Na]+ 404.21962 199.0
[M-H]- 380.22312 202.7
[M+NH4]+ 399.26422 205.4
[M+K]+ 420.19356 195.1
[M+H-H2O]+ 364.22766 184.9
[M+HCOO]- 426.22860 210.9
[M+CH3COO]- 440.24425 222.5
[M+Na-2H]- 402.20507 192.6
[M]+ 381.22985 195.3
[M]- 381.23095 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.