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 162.0
[M+Na]+ 305.07842 170.4
[M-H]- 281.08192 169.3
[M+NH4]+ 300.12302 177.0
[M+K]+ 321.05236 167.1
[M+H-H2O]+ 265.08646 154.4
[M+HCOO]- 327.08740 181.0
[M+CH3COO]- 341.10305 197.9
[M+Na-2H]- 303.06387 167.3
[M]+ 282.08865 162.6
[M]- 282.08975 162.6
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

No patent data available for this compound.