CID 214334

5-dimethylaminomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, benzoate, dihydrochloride

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-19-16-24(21-14-10-7-11-15-21,23(2,17-25(3)4)18-26(19)5)28-22(27)20-12-8-6-9-13-20/h6-15,19H,16-18H2,1-5H3
InChIKey
CTOLFSIAASSWDZ-UHFFFAOYSA-N
Compound name
[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 194.2
[M+Na]+ 403.23559 198.6
[M-H]- 379.23909 203.0
[M+NH4]+ 398.28019 208.5
[M+K]+ 419.20953 195.7
[M+H-H2O]+ 363.24363 184.0
[M+HCOO]- 425.24457 212.0
[M+CH3COO]- 439.26022 225.7
[M+Na-2H]- 401.22104 195.2
[M]+ 380.24582 194.1
[M]- 380.24692 194.1
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.