CID 6445483

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

Structural Information

Molecular Formula
C28H36N2O3
SMILES
CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H36N2O3/c1-23-20-28(25-12-8-5-9-13-25,33-26(31)15-14-24-10-6-4-7-11-24)27(2,21-29(23)3)22-30-16-18-32-19-17-30/h4-15,23H,16-22H2,1-3H3/b15-14+
InChIKey
MGAFKTKXUGWIGI-CCEZHUSRSA-N
Compound name
[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.27258 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.27986 214.8
[M+Na]+ 471.26180 216.7
[M-H]- 447.26530 222.8
[M+NH4]+ 466.30640 222.0
[M+K]+ 487.23574 212.5
[M+H-H2O]+ 431.26984 201.3
[M+HCOO]- 493.27078 224.5
[M+CH3COO]- 507.28643 220.3
[M+Na-2H]- 469.24725 213.3
[M]+ 448.27203 209.9
[M]- 448.27313 209.9
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.