CID 206920

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

Structural Information

Molecular Formula
C26H44N2O2
SMILES
CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)CC)C)C)C
InChI
InChI=1S/C26H44N2O2/c1-7-10-17-28(18-11-8-2)21-25(5)20-27(6)22(4)19-26(25,30-24(29)9-3)23-15-13-12-14-16-23/h12-16,22H,7-11,17-21H2,1-6H3
InChIKey
JGEWKWHQAMZQFJ-UHFFFAOYSA-N
Compound name
[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.34027 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34755 206.5
[M+Na]+ 439.32949 208.8
[M-H]- 415.33299 211.1
[M+NH4]+ 434.37409 220.0
[M+K]+ 455.30343 206.0
[M+H-H2O]+ 399.33753 197.6
[M+HCOO]- 461.33847 222.3
[M+CH3COO]- 475.35412 235.6
[M+Na-2H]- 437.31494 204.4
[M]+ 416.33972 209.9
[M]- 416.34082 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.