CID 5346228

2373-93-5

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H14O4/c1-19-14-6-4-13(5-7-14)15(18)8-2-12-3-9-16-17(10-12)21-11-20-16/h2-10H,11H2,1H3/b8-2+
InChIKey
LBZPKCQXIJFJKS-KRXBUXKQSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

282.0892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.5
[M+Na]+ 305.07842 176.3
[M+NH4]+ 300.12302 170.5
[M+K]+ 321.05236 171.6
[M-H]- 281.08192 168.7
[M+Na-2H]- 303.06387 168.3
[M]+ 282.08865 166.2
[M]- 282.08975 166.2
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