CID 2828708

2,6-diphenyl-piperidin-4-one

Structural Information

Molecular Formula
C17H17NO
SMILES
C1C(NC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO/c19-15-11-16(13-7-3-1-4-8-13)18-17(12-15)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2
InChIKey
OYKOHBSCVHNWPT-UHFFFAOYSA-N
Compound name
2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

251.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 158.5
[M+Na]+ 274.12023 163.7
[M-H]- 250.12373 164.6
[M+NH4]+ 269.16483 172.7
[M+K]+ 290.09417 157.8
[M+H-H2O]+ 234.12827 149.3
[M+HCOO]- 296.12921 176.4
[M+CH3COO]- 310.14486 168.9
[M+Na-2H]- 272.10568 162.5
[M]+ 251.13046 151.7
[M]- 251.13156 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe