CID 3060332

1-(4-butoxy-2-butynyl)-4-phenyl-4-piperidinol propionate hydrochloride

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCCCOCC#CCN1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/C22H31NO3/c1-3-5-18-25-19-10-9-15-23-16-13-22(14-17-23,26-21(24)4-2)20-11-7-6-8-12-20/h6-8,11-12H,3-5,13-19H2,1-2H3
InChIKey
CCFPMDRIDXFGBX-UHFFFAOYSA-N
Compound name
[1-(4-butoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 186.8
[M+Na]+ 380.21962 192.4
[M-H]- 356.22312 188.0
[M+NH4]+ 375.26422 198.1
[M+K]+ 396.19356 185.6
[M+H-H2O]+ 340.22766 171.9
[M+HCOO]- 402.22860 197.7
[M+CH3COO]- 416.24425 217.4
[M+Na-2H]- 378.20507 186.4
[M]+ 357.22985 182.0
[M]- 357.23095 182.0
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.