CID 71588337

(-)-5,4'-dihydroxy-7,8-[(cis-3''-hydroxy-4''-ethoxy-3'',4''-dihydro)-2'',2''-dimethylpyrano]-flavone

Structural Information

Molecular Formula
C22H22O7
SMILES
CCOC1C(C(OC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=C(C=C4)O)(C)C)O
InChI
InChI=1S/C22H22O7/c1-4-27-20-18-16(29-22(2,3)21(20)26)10-14(25)17-13(24)9-15(28-19(17)18)11-5-7-12(23)8-6-11/h5-10,20-21,23,25-26H,4H2,1-3H3
InChIKey
YOCMSKMOHSWBNX-UHFFFAOYSA-N
Compound name
10-ethoxy-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.13657 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 193.5
[M+Na]+ 421.12579 203.6
[M-H]- 397.12929 200.6
[M+NH4]+ 416.17039 204.5
[M+K]+ 437.09973 202.1
[M+H-H2O]+ 381.13383 185.0
[M+HCOO]- 443.13477 206.1
[M+CH3COO]- 457.15042 220.6
[M+Na-2H]- 419.11124 197.5
[M]+ 398.13602 198.9
[M]- 398.13712 198.9
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

No patent data available for this compound.