CID 205385

Propiophenone, 3-(4-(3-phenylpropyl)piperidino)-, hydrochloride

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CN(CCC1CCCC2=CC=CC=C2)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c25-23(22-12-5-2-6-13-22)16-19-24-17-14-21(15-18-24)11-7-10-20-8-3-1-4-9-20/h1-6,8-9,12-13,21H,7,10-11,14-19H2
InChIKey
WZEHYPQYSRGEHS-UHFFFAOYSA-N
Compound name
1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 185.1
[M+Na]+ 358.21412 186.6
[M-H]- 334.21762 190.9
[M+NH4]+ 353.25872 196.0
[M+K]+ 374.18806 180.7
[M+H-H2O]+ 318.22216 174.1
[M+HCOO]- 380.22310 201.3
[M+CH3COO]- 394.23875 211.6
[M+Na-2H]- 356.19957 185.7
[M]+ 335.22435 180.9
[M]- 335.22545 180.9
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

patents stripe