CID 6449266

4h-1-benzopyran-4-one, 2,3-dihydro-3-((4-hydroxy-3-methoxyphenyl)methylene)-, (e)-

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
2
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]+ 283.096476 162.0
[M+Na]+ 305.078418 170.4
[M-H]- 281.081924 169.3
[M+NH4]+ 300.123023 177.0
[M+K]+ 321.052358 167.1
[M+H-H2O]+ 265.086460 154.4
[M+HCOO]- 327.087401 181.0
[M+CH3COO]- 341.103051 197.9
[M+Na-2H]- 303.063866 167.3
[M]+ 282.08865142 162.6
[M]- 282.08974858 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.