CID 6449266

Brn 0026921

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=C(C=CC(=C1)/C=C/2\COC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H14O4/c1-20-16-9-11(6-7-14(16)18)8-12-10-21-15-5-3-2-4-13(15)17(12)19/h2-9,18H,10H2,1H3/b12-8+
InChIKey
OPNJSGOXSMZPTM-XYOKQWHBSA-N
Compound name
(3E)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.6
[M+Na]+ 305.07842 177.7
[M+NH4]+ 300.12302 170.7
[M+K]+ 321.05236 170.4
[M-H]- 281.08192 168.1
[M+Na-2H]- 303.06387 169.3
[M]+ 282.08865 166.4
[M]- 282.08975 166.4
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

No patent data available for this compound.