CID 9972910

Gnaphaliin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
InChI
InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
InChIKey
OWQLBLNRUZULFV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,8-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

41
Patents

314.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 168.5
[M+Na]+ 337.06826 184.6
[M+NH4]+ 332.11286 175.5
[M+K]+ 353.04220 178.7
[M-H]- 313.07176 173.3
[M+Na-2H]- 335.05371 175.1
[M]+ 314.07849 172.3
[M]- 314.07959 172.3
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