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]+ 324.17248 177.8
[M+Na]+ 346.15442 183.1
[M-H]- 322.15792 181.8
[M+NH4]+ 341.19902 191.5
[M+K]+ 362.12836 177.9
[M+H-H2O]+ 306.16246 169.7
[M+HCOO]- 368.16340 190.2
[M+CH3COO]- 382.17905 208.8
[M+Na-2H]- 344.13987 177.0
[M]+ 323.16465 179.3
[M]- 323.16575 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.