CID 5466137

93655-95-9

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C18H14O7/c1-21-10-6-11(19)15-14(7-10)25-17(18(22-2)16(15)20)9-3-4-12-13(5-9)24-8-23-12/h3-7,19H,8H2,1-2H3
InChIKey
KZBUZACVMLEHTG-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.07394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.7
[M+Na]+ 365.06316 185.0
[M-H]- 341.06666 184.6
[M+NH4]+ 360.10776 186.7
[M+K]+ 381.03710 185.5
[M+H-H2O]+ 325.07120 167.2
[M+HCOO]- 387.07214 192.5
[M+CH3COO]- 401.08779 186.8
[M+Na-2H]- 363.04861 179.6
[M]+ 342.07339 182.9
[M]- 342.07449 182.9
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.