CID 14162621

Atalantoflavone

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
InChIKey
YEUHAZULDUVZLA-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 177.2
[M+Na]+ 359.08898 188.6
[M-H]- 335.09248 185.9
[M+NH4]+ 354.13358 191.3
[M+K]+ 375.06292 186.1
[M+H-H2O]+ 319.09702 168.8
[M+HCOO]- 381.09796 193.5
[M+CH3COO]- 395.11361 189.1
[M+Na-2H]- 357.07443 184.5
[M]+ 336.09921 181.3
[M]- 336.10031 181.3
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