CID 3076841

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

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@H](CCNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c1-13-7-9-15(10-8-13)17-16(11-12-19-18(17)20)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17-/m1/s1
InChIKey
SBFDOSSVXOJNRJ-IAGOWNOFSA-N
Compound name
(3S,4S)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 164.6
[M+Na]+ 288.13589 179.9
[M+NH4]+ 283.18049 173.6
[M+K]+ 304.10983 170.8
[M-H]- 264.13939 171.0
[M+Na-2H]- 286.12134 174.4
[M]+ 265.14612 168.7
[M]- 265.14722 168.7
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.