CID 214336

28082-90-8

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C26H36N2O2/c1-6-28(7-2)20-25(4)19-27(5)21(3)18-26(25,23-16-12-9-13-17-23)30-24(29)22-14-10-8-11-15-22/h8-17,21H,6-7,18-20H2,1-5H3
InChIKey
FBUVWFWJZCPGTB-UHFFFAOYSA-N
Compound name
[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.284956 202.9
[M+Na]+ 431.266898 206.4
[M-H]- 407.270404 211.2
[M+NH4]+ 426.311503 215.9
[M+K]+ 447.240838 203.0
[M+H-H2O]+ 391.274940 192.2
[M+HCOO]- 453.275881 220.0
[M+CH3COO]- 467.291531 231.5
[M+Na-2H]- 429.252346 202.8
[M]+ 408.27713142 203.4
[M]- 408.27822858 203.4
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.