CID 3050235

Propiophenone, 4'-(3-(4-hydroxypiperidino)propoxy)-, acetate (ester), hydrochloride

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCC(=O)C1=CC=C(C=C1)OCCCN2CCC(CC2)OC(=O)C
InChI
InChI=1S/C19H27NO4/c1-3-19(22)16-5-7-17(8-6-16)23-14-4-11-20-12-9-18(10-13-20)24-15(2)21/h5-8,18H,3-4,9-14H2,1-2H3
InChIKey
DSTZRBBFVDEBGW-UHFFFAOYSA-N
Compound name
[1-[3-(4-propanoylphenoxy)propyl]piperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 181.1
[M+Na]+ 356.18322 184.0
[M-H]- 332.18672 184.8
[M+NH4]+ 351.22782 192.9
[M+K]+ 372.15716 181.6
[M+H-H2O]+ 316.19126 171.9
[M+HCOO]- 378.19220 197.3
[M+CH3COO]- 392.20785 210.6
[M+Na-2H]- 354.16867 179.9
[M]+ 333.19345 181.9
[M]- 333.19455 181.9
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.