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]+ 409.28496 202.9
[M+Na]+ 431.26690 206.4
[M-H]- 407.27040 211.2
[M+NH4]+ 426.31150 215.9
[M+K]+ 447.24084 203.0
[M+H-H2O]+ 391.27494 192.2
[M+HCOO]- 453.27588 220.0
[M+CH3COO]- 467.29153 231.5
[M+Na-2H]- 429.25235 202.8
[M]+ 408.27713 203.4
[M]- 408.27823 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.