CID 131753080

2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one

Structural Information

Molecular Formula
C22H20O6
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC)C
InChI
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3
InChIKey
VNNMTQJSNKAONW-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.133256 189.1
[M+Na]+ 403.115198 200.5
[M-H]- 379.118704 199.0
[M+NH4]+ 398.159803 202.2
[M+K]+ 419.089138 199.4
[M+H-H2O]+ 363.123240 179.8
[M+HCOO]- 425.124181 206.1
[M+CH3COO]- 439.139831 200.8
[M+Na-2H]- 401.100646 195.1
[M]+ 380.12543142 197.3
[M]- 380.12652858 197.3
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.