CID 386069

Nsc677640

Structural Information

Molecular Formula
C30H26O10
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3O2)OC(=CC4=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C30H26O10/c1-33-25-7-15(8-26(34-2)29(25)37-5)21-12-19(31)17-11-18-20(32)13-22(40-24(18)14-23(17)39-21)16-9-27(35-3)30(38-6)28(10-16)36-4/h7-14H,1-6H3
InChIKey
VAJCUPZKJQVAFX-UHFFFAOYSA-N
Compound name
2,8-bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.1526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.15988 234.1
[M+Na]+ 569.14182 245.6
[M-H]- 545.14532 248.8
[M+NH4]+ 564.18642 238.2
[M+K]+ 585.11576 247.4
[M+H-H2O]+ 529.14986 220.2
[M+HCOO]- 591.15080 253.2
[M+CH3COO]- 605.16645 255.8
[M+Na-2H]- 567.12727 236.2
[M]+ 546.15205 251.6
[M]- 546.15315 251.6
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.