CID 5354119

53940-12-8

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2
InChI
InChI=1S/C14H11NO/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+
InChIKey
UYYLCENCUQKANA-MDZDMXLPSA-N
Compound name
(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

33
Patents

209.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 145.8
[M+Na]+ 232.07328 152.8
[M-H]- 208.07678 150.7
[M+NH4]+ 227.11788 162.6
[M+K]+ 248.04722 148.4
[M+H-H2O]+ 192.08132 137.6
[M+HCOO]- 254.08226 168.5
[M+CH3COO]- 268.09791 185.2
[M+Na-2H]- 230.05873 152.8
[M]+ 209.08351 144.6
[M]- 209.08461 144.6
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