CID 6445479

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

Structural Information

Molecular Formula
C29H38N2O2
SMILES
CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C29H38N2O2/c1-24-21-29(26-15-9-5-10-16-26,33-27(32)18-17-25-13-7-4-8-14-25)28(2,22-30(24)3)23-31-19-11-6-12-20-31/h4-5,7-10,13-18,24H,6,11-12,19-23H2,1-3H3/b18-17+
InChIKey
BDUMJCXYYKRNJU-ISLYRVAYSA-N
Compound name
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.29333 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.30061 215.9
[M+Na]+ 469.28255 217.2
[M-H]- 445.28605 223.1
[M+NH4]+ 464.32715 224.5
[M+K]+ 485.25649 211.1
[M+H-H2O]+ 429.29059 202.2
[M+HCOO]- 491.29153 226.0
[M+CH3COO]- 505.30718 221.0
[M+Na-2H]- 467.26800 213.2
[M]+ 446.29278 209.2
[M]- 446.29388 209.2
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.