CID 42607962

5-hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C21H20O5/c1-21(2)9-8-14-18(26-21)11-16(23)19-15(22)10-17(25-20(14)19)12-4-6-13(24-3)7-5-12/h4-9,11,17,23H,10H2,1-3H3
InChIKey
DYYGGFDQLZIZEE-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.3
[M+Na]+ 375.12029 191.7
[M-H]- 351.12379 191.3
[M+NH4]+ 370.16489 196.2
[M+K]+ 391.09423 190.0
[M+H-H2O]+ 335.12833 173.6
[M+HCOO]- 397.12927 196.9
[M+CH3COO]- 411.14492 193.4
[M+Na-2H]- 373.10574 187.6
[M]+ 352.13052 185.5
[M]- 352.13162 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.