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]+ 266.153946 163.0
[M+Na]+ 288.135888 168.8
[M-H]- 264.139394 169.4
[M+NH4]+ 283.180493 177.0
[M+K]+ 304.109828 162.7
[M+H-H2O]+ 248.143930 153.9
[M+HCOO]- 310.144871 180.6
[M+CH3COO]- 324.160521 173.4
[M+Na-2H]- 286.121336 165.8
[M]+ 265.14612142 157.0
[M]- 265.14721858 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