CID 6445477

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

Structural Information

Molecular Formula
C32H46N2O2
SMILES
CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C32H46N2O2/c1-6-8-22-34(23-9-7-2)26-31(4)25-33(5)27(3)24-32(31,29-18-14-11-15-19-29)36-30(35)21-20-28-16-12-10-13-17-28/h10-21,27H,6-9,22-26H2,1-5H3/b21-20+
InChIKey
DJVCBSRZQZKLGT-QZQOTICOSA-N
Compound name
[5-[(dibutylamino)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

490.35593 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.36321 227.4
[M+Na]+ 513.34515 228.5
[M-H]- 489.34865 234.4
[M+NH4]+ 508.38975 236.9
[M+K]+ 529.31909 223.4
[M+H-H2O]+ 473.35319 215.6
[M+HCOO]- 535.35413 242.5
[M+CH3COO]- 549.36978 247.4
[M+Na-2H]- 511.33060 224.3
[M]+ 490.35538 229.1
[M]- 490.35648 229.1
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.