CID 5396399

3-(3,5-dimethylphenoxy)-7-hydroxychromen-4-one

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)O)C
InChI
InChI=1S/C17H14O4/c1-10-5-11(2)7-13(6-10)21-16-9-20-15-8-12(18)3-4-14(15)17(16)19/h3-9,18H,1-2H3
InChIKey
PIDNAWFJEAYWGN-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylphenoxy)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.5
[M+Na]+ 305.078418 172.5
[M-H]- 281.081924 169.9
[M+NH4]+ 300.123023 177.0
[M+K]+ 321.052358 169.5
[M+H-H2O]+ 265.086460 153.9
[M+HCOO]- 327.087401 183.1
[M+CH3COO]- 341.103051 200.0
[M+Na-2H]- 303.063866 167.9
[M]+ 282.08865142 166.2
[M]- 282.08974858 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

No patent data available for this compound.