CID 504066

Chembl562751

Structural Information

Molecular Formula
C20H22O5
SMILES
CC1(CC(=O)C2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)C
InChI
InChI=1S/C20H22O5/c1-7-19(2,3)15-17-11(8-9-13(22)24-17)16(23-6)14-12(21)10-20(4,5)25-18(14)15/h7-9H,1,10H2,2-6H3
InChIKey
ZXNGKCRKOLCCPJ-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 176.8
[M+Na]+ 365.13595 187.7
[M-H]- 341.13945 184.4
[M+NH4]+ 360.18055 192.7
[M+K]+ 381.10989 186.6
[M+H-H2O]+ 325.14399 170.5
[M+HCOO]- 387.14493 192.3
[M+CH3COO]- 401.16058 216.3
[M+Na-2H]- 363.12140 183.7
[M]+ 342.14618 183.9
[M]- 342.14728 183.9
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.