CID 206900

4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-4-piperidinol, acetate, dihydrochloride

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C22H34N2O2/c1-18-15-22(26-19(2)25,20-11-7-5-8-12-20)21(3,16-23(18)4)17-24-13-9-6-10-14-24/h5,7-8,11-12,18H,6,9-10,13-17H2,1-4H3
InChIKey
XLBUXEIOHUJECF-UHFFFAOYSA-N
Compound name
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 191.0
[M+Na]+ 381.25124 193.9
[M-H]- 357.25474 196.1
[M+NH4]+ 376.29584 204.2
[M+K]+ 397.22518 190.4
[M+H-H2O]+ 341.25928 180.4
[M+HCOO]- 403.26022 202.2
[M+CH3COO]- 417.27587 215.3
[M+Na-2H]- 379.23669 190.0
[M]+ 358.26147 185.8
[M]- 358.26257 185.8
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.