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]+ 283.09648 161.5
[M+Na]+ 305.07842 172.5
[M-H]- 281.08192 169.9
[M+NH4]+ 300.12302 177.0
[M+K]+ 321.05236 169.5
[M+H-H2O]+ 265.08646 153.9
[M+HCOO]- 327.08740 183.1
[M+CH3COO]- 341.10305 200.0
[M+Na-2H]- 303.06387 167.9
[M]+ 282.08865 166.2
[M]- 282.08975 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.