CID 3065188

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

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=CC=C(C=C1)[C@@H]2CCNC(=O)[C@@H]2C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-21-15-9-7-13(8-10-15)16-11-12-19-18(20)17(16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKey
SCQJJNZFWSUHRT-DLBZAZTESA-N
Compound name
(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 167.7
[M+Na]+ 304.13079 182.6
[M+NH4]+ 299.17539 176.2
[M+K]+ 320.10473 174.0
[M-H]- 280.13429 173.6
[M+Na-2H]- 302.11624 177.1
[M]+ 281.14102 171.6
[M]- 281.14212 171.6
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