CID 205814

18700-04-4

Structural Information

Molecular Formula
C17H17NO
SMILES
C1CNC(=O)[C@@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO/c19-17-16(14-9-5-2-6-10-14)15(11-12-18-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16-/m1/s1
InChIKey
ADESRNXGTAJDPF-HZPDHXFCSA-N
Compound name
(3S,4S)-3,4-diphenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 158.5
[M+Na]+ 274.12023 163.7
[M-H]- 250.12373 164.6
[M+NH4]+ 269.16483 172.7
[M+K]+ 290.09417 157.8
[M+H-H2O]+ 234.12827 149.3
[M+HCOO]- 296.12921 176.4
[M+CH3COO]- 310.14486 168.9
[M+Na-2H]- 272.10568 162.5
[M]+ 251.13046 151.7
[M]- 251.13156 151.7
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.