CID 12289982

7380-44-1

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)O)OC)OC
InChI
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-10(20)8-13(25-3)15(21)18(14)27-17/h5-8,20-21H,1-4H3
InChIKey
HVUBHXRYARBAGR-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5,8-dihydroxy-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

374.10016 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 184.0
[M+Na]+ 397.08938 199.2
[M+NH4]+ 392.13398 189.3
[M+K]+ 413.06332 194.4
[M-H]- 373.09288 187.8
[M+Na-2H]- 395.07483 188.5
[M]+ 374.09961 187.3
[M]- 374.10071 187.3
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