CID 135122017

1-(3,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=CC=C1C=CC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-8-13(17)12-7-9-14(18)15(19)10-12/h2-10,18-19H,1H3
InChIKey
XUBONLCGLOUOOO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

270.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 161.3
[M+Na]+ 293.07842 174.8
[M+NH4]+ 288.12302 168.0
[M+K]+ 309.05236 168.5
[M-H]- 269.08192 163.8
[M+Na-2H]- 291.06387 168.3
[M]+ 270.08865 163.8
[M]- 270.08975 163.8
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

No patent data available for this compound.