CID 3076842

2-piperidinone, 3-(4-methoxyphenyl)-4-phenyl-, trans-

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=CC=C(C=C1)[C@@H]2[C@H](CCNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-21-15-9-7-14(8-10-15)17-16(11-12-19-18(17)20)13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17-/m1/s1
InChIKey
POTCSUYPZIOZAO-IAGOWNOFSA-N
Compound name
(3S,4S)-3-(4-methoxyphenyl)-4-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 166.4
[M+Na]+ 304.130788 171.9
[M-H]- 280.134294 172.7
[M+NH4]+ 299.175393 179.6
[M+K]+ 320.104728 166.5
[M+H-H2O]+ 264.138830 156.9
[M+HCOO]- 326.139771 184.1
[M+CH3COO]- 340.155421 176.5
[M+Na-2H]- 302.116236 169.1
[M]+ 281.14102142 161.7
[M]- 281.14211858 161.7
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.