CID 3077581

134826-28-1

Structural Information

Molecular Formula
C22H27NO4
SMILES
COC1=C(C=C(C=C1)CCN2CCC(CC2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C22H27NO4/c1-25-20-9-8-17(16-21(20)26-2)10-13-23-14-11-19(12-15-23)27-22(24)18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3
InChIKey
ZLJQAUJRJBRMDQ-UHFFFAOYSA-N
Compound name
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.6
[M+Na]+ 392.18322 203.8
[M+NH4]+ 387.22782 197.4
[M+K]+ 408.15716 196.0
[M-H]- 368.18672 195.7
[M+Na-2H]- 390.16867 198.4
[M]+ 369.19345 193.9
[M]- 369.19455 193.9
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.