CID 44259654

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)C)O
InChI
InChI=1S/C18H16O6/c1-8-13(20)9(2)16-12(14(8)21)15(22)18(23-3)17(24-16)10-4-6-11(19)7-5-10/h4-7,19-21H,1-3H3
InChIKey
ZJWUNKIZXJVIDL-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

328.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 173.3
[M+Na]+ 351.08392 184.9
[M-H]- 327.08742 179.8
[M+NH4]+ 346.12852 186.0
[M+K]+ 367.05786 182.1
[M+H-H2O]+ 311.09196 165.9
[M+HCOO]- 373.09290 191.6
[M+CH3COO]- 387.10855 207.3
[M+Na-2H]- 349.06937 176.2
[M]+ 328.09415 178.9
[M]- 328.09525 178.9
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

patents stripe