CID 5490139

Alpinumisoflavone

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3
InChIKey
RQAMSFTXEFSBPK-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

265
Patents

336.09976 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 175.7
[M+Na]+ 359.08898 193.2
[M+NH4]+ 354.13358 185.3
[M+K]+ 375.06292 184.2
[M-H]- 335.09248 183.3
[M+Na-2H]- 357.07443 183.4
[M]+ 336.09921 180.8
[M]- 336.10031 180.8
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