CID 6445475

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

Structural Information

Molecular Formula
C30H42N2O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C30H42N2O2/c1-6-20-32(21-7-2)24-29(4)23-31(5)25(3)22-30(29,27-16-12-9-13-17-27)34-28(33)19-18-26-14-10-8-11-15-26/h8-19,25H,6-7,20-24H2,1-5H3/b19-18+
InChIKey
XDFVTXLKENPIHU-VHEBQXMUSA-N
Compound name
[5-[(dipropylamino)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

462.32462 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.33190 219.0
[M+Na]+ 485.31384 221.0
[M-H]- 461.31734 226.5
[M+NH4]+ 480.35844 229.7
[M+K]+ 501.28778 216.3
[M+H-H2O]+ 445.32188 207.6
[M+HCOO]- 507.32282 234.9
[M+CH3COO]- 521.33847 241.7
[M+Na-2H]- 483.29929 216.9
[M]+ 462.32407 220.0
[M]- 462.32517 220.0
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.