CID 6913741

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

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CCN(CC)CC1CN(C(CC1(C2=CC=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C)C)C
InChI
InChI=1S/C28H38N2O2/c1-6-30(7-2)21-26-20-29(5)23(4)19-28(26,25-16-12-9-13-17-25)32-27(31)22(3)18-24-14-10-8-11-15-24/h8-18,23,26H,6-7,19-21H2,1-5H3/b22-18+
InChIKey
CCSMBPJRQDMNDD-RELWKKBWSA-N
Compound name
[5-(diethylaminomethyl)-1,2-dimethyl-4-phenylpiperidin-4-yl] (E)-2-methyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.29333 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.30061 211.9
[M+Na]+ 457.28255 213.4
[M-H]- 433.28605 219.5
[M+NH4]+ 452.32715 221.6
[M+K]+ 473.25649 209.2
[M+H-H2O]+ 417.29059 200.6
[M+HCOO]- 479.29153 227.3
[M+CH3COO]- 493.30718 237.2
[M+Na-2H]- 455.26800 208.4
[M]+ 434.29278 211.2
[M]- 434.29388 211.2
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.