CID 188323

Cirsimaritin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
InChIKey
ZIIAJIWLQUVGHB-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

80
References

550
Patents

314.07904 Da
Monoisotopic Mass

2.0
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