CID 6445471

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

Structural Information

Molecular Formula
C26H34N2O2
SMILES
CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C26H34N2O2/c1-21-18-26(23-14-10-7-11-15-23,25(2,19-27(3)4)20-28(21)5)30-24(29)17-16-22-12-8-6-9-13-22/h6-17,21H,18-20H2,1-5H3/b17-16+
InChIKey
ZINYQMWWVVVGSG-WUKNDPDISA-N
Compound name
[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26930 202.1
[M+Na]+ 429.25124 214.6
[M+NH4]+ 424.29584 211.7
[M+K]+ 445.22518 202.4
[M-H]- 405.25474 208.2
[M+Na-2H]- 427.23669 212.7
[M]+ 406.26147 205.9
[M]- 406.26257 205.9
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.