CID 161271

Salvigenin

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
InChI
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
InChIKey
QCDYOIZVELGOLZ-UHFFFAOYSA-N
Compound name
5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

178
Patents

328.0947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.4
[M+Na]+ 351.08392 188.8
[M+NH4]+ 346.12852 179.5
[M+K]+ 367.05786 182.4
[M-H]- 327.08742 177.7
[M+Na-2H]- 349.06937 179.3
[M]+ 328.09415 176.4
[M]- 328.09525 176.4
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