CID 3041905

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

Structural Information

Molecular Formula
C18H26ClNO2
SMILES
CCCOC1=C(C=C(C=C1C)C(=O)CCN2CCCCC2)Cl
InChI
InChI=1S/C18H26ClNO2/c1-3-11-22-18-14(2)12-15(13-16(18)19)17(21)7-10-20-8-5-4-6-9-20/h12-13H,3-11H2,1-2H3
InChIKey
IROGKNKOWGYQLO-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1652 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.172476 177.8
[M+Na]+ 346.154418 183.1
[M-H]- 322.157924 181.8
[M+NH4]+ 341.199023 191.5
[M+K]+ 362.128358 177.9
[M+H-H2O]+ 306.162460 169.7
[M+HCOO]- 368.163401 190.2
[M+CH3COO]- 382.179051 208.8
[M+Na-2H]- 344.139866 177.0
[M]+ 323.16465142 179.3
[M]- 323.16574858 179.3
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.