CID 6035979

(2e)-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2
InChI
InChI=1S/C15H13NO2/c1-18-13-8-5-12(6-9-13)7-10-15(17)14-4-2-3-11-16-14/h2-11H,1H3/b10-7+
InChIKey
GFHMCCZEIHMATM-JXMROGBWSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

239.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 153.4
[M+Na]+ 262.083858 160.8
[M-H]- 238.087364 158.6
[M+NH4]+ 257.128463 169.3
[M+K]+ 278.057798 156.9
[M+H-H2O]+ 222.091900 145.0
[M+HCOO]- 284.092841 176.0
[M+CH3COO]- 298.108491 191.4
[M+Na-2H]- 260.069306 159.1
[M]+ 239.09409142 154.4
[M]- 239.09518858 154.4
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