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 166.4
[M+Na]+ 304.13079 171.9
[M-H]- 280.13429 172.7
[M+NH4]+ 299.17539 179.6
[M+K]+ 320.10473 166.5
[M+H-H2O]+ 264.13883 156.9
[M+HCOO]- 326.13977 184.1
[M+CH3COO]- 340.15542 176.5
[M+Na-2H]- 302.11624 169.1
[M]+ 281.14102 161.7
[M]- 281.14212 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

patents stripe