CID 3041911

4'-butoxy-3'-chloro-5'-methyl-3-piperidino-propiophenone hydrochloride

Structural Information

Molecular Formula
C19H28ClNO2
SMILES
CCCCOC1=C(C=C(C=C1C)C(=O)CCN2CCCCC2)Cl
InChI
InChI=1S/C19H28ClNO2/c1-3-4-12-23-19-15(2)13-16(14-17(19)20)18(22)8-11-21-9-6-5-7-10-21/h13-14H,3-12H2,1-2H3
InChIKey
AQSFGWXOJZDTQW-UHFFFAOYSA-N
Compound name
1-(4-butoxy-3-chloro-5-methylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18813 182.4
[M+Na]+ 360.17007 187.2
[M-H]- 336.17357 186.1
[M+NH4]+ 355.21467 195.5
[M+K]+ 376.14401 181.8
[M+H-H2O]+ 320.17811 174.0
[M+HCOO]- 382.17905 194.4
[M+CH3COO]- 396.19470 211.8
[M+Na-2H]- 358.15552 181.0
[M]+ 337.18030 184.2
[M]- 337.18140 184.2
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.