CID 3065195

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

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC=C(C=C1)[C@@H]2CCNC(=O)[C@@H]2C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c1-13-7-9-14(10-8-13)16-11-12-19-18(20)17(16)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKey
DGDVQXNYCIAMMV-DLBZAZTESA-N
Compound name
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 163.0
[M+Na]+ 288.13589 168.8
[M-H]- 264.13939 169.4
[M+NH4]+ 283.18049 177.0
[M+K]+ 304.10983 162.7
[M+H-H2O]+ 248.14393 153.9
[M+HCOO]- 310.14487 180.6
[M+CH3COO]- 324.16052 173.4
[M+Na-2H]- 286.12134 165.8
[M]+ 265.14612 157.0
[M]- 265.14722 157.0
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