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]+ 334.201276 181.1
[M+Na]+ 356.183218 184.0
[M-H]- 332.186724 184.8
[M+NH4]+ 351.227823 192.9
[M+K]+ 372.157158 181.6
[M+H-H2O]+ 316.191260 171.9
[M+HCOO]- 378.192201 197.3
[M+CH3COO]- 392.207851 210.6
[M+Na-2H]- 354.168666 179.9
[M]+ 333.19345142 181.9
[M]- 333.19454858 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.