CID 5386428

(3e,5e)-3,5-dibenzylidenepiperidin-4-one

Structural Information

Molecular Formula
C19H17NO
SMILES
C\1NC/C(=C\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3
InChI
InChI=1S/C19H17NO/c21-19-17(11-15-7-3-1-4-8-15)13-20-14-18(19)12-16-9-5-2-6-10-16/h1-12,20H,13-14H2/b17-11+,18-12+
InChIKey
KPVTZSGWKGUMLH-JYFOCSDGSA-N
Compound name
(3E,5E)-3,5-dibenzylidenepiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

10
Patents

275.131 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.138276 165.9
[M+Na]+ 298.120218 171.0
[M-H]- 274.123724 171.8
[M+NH4]+ 293.164823 179.1
[M+K]+ 314.094158 163.5
[M+H-H2O]+ 258.128260 156.5
[M+HCOO]- 320.129201 183.6
[M+CH3COO]- 334.144851 175.6
[M+Na-2H]- 296.105666 168.8
[M]+ 275.13045142 158.2
[M]- 275.13154858 158.2
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