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 202.0
[M+Na]+ 429.25124 205.8
[M-H]- 405.25474 210.3
[M+NH4]+ 424.29584 215.1
[M+K]+ 445.22518 201.9
[M+H-H2O]+ 389.25928 191.4
[M+HCOO]- 451.26022 219.2
[M+CH3COO]- 465.27587 230.1
[M+Na-2H]- 427.23669 201.9
[M]+ 406.26147 201.7
[M]- 406.26257 201.7
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.