CID 44258621

7,8,3',4',5'-pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone

Structural Information

Molecular Formula
C25H26O8
SMILES
CC1(C=CC2=C(O1)C3=C(C(=C2OC)OC)OC(=CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C
InChI
InChI=1S/C25H26O8/c1-25(2)9-8-14-20(33-25)19-15(26)12-16(32-23(19)24(31-7)21(14)29-5)13-10-17(27-3)22(30-6)18(11-13)28-4/h8-12H,1-7H3
InChIKey
LBCBUTFRVRCZPO-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2,2-dimethyl-8-(3,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.16278 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17006 207.7
[M+Na]+ 477.15200 219.1
[M-H]- 453.15550 219.0
[M+NH4]+ 472.19660 218.5
[M+K]+ 493.12594 220.3
[M+H-H2O]+ 437.16004 197.4
[M+HCOO]- 499.16098 225.2
[M+CH3COO]- 513.17663 238.5
[M+Na-2H]- 475.13745 211.8
[M]+ 454.16223 222.2
[M]- 454.16333 222.2
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.