CID 1915648

Piperidine, 1-(diphenylacetyl)-2-(3-pyridinyl)-, monohydrochloride, (s)-

Structural Information

Molecular Formula
C24H24N2O
SMILES
C1CCN([C@@H](C1)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H24N2O/c27-24(26-17-8-7-15-22(26)21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-14,16,18,22-23H,7-8,15,17H2/t22-/m0/s1
InChIKey
MNQZZUFJWQVIFR-QFIPXVFZSA-N
Compound name
2,2-diphenyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19615 187.8
[M+Na]+ 379.17809 189.8
[M-H]- 355.18159 195.5
[M+NH4]+ 374.22269 195.6
[M+K]+ 395.15203 183.3
[M+H-H2O]+ 339.18613 174.9
[M+HCOO]- 401.18707 202.3
[M+CH3COO]- 415.20272 195.0
[M+Na-2H]- 377.16354 189.3
[M]+ 356.18832 180.9
[M]- 356.18942 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

No patent data available for this compound.