CID 363712

Nsc628872

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-14-7-5-11(9-16(14)23-3)13-10-25-18-12(17(13)20)6-8-15(22-2)19(18)24-4/h5-9,13H,10H2,1-4H3
InChIKey
VADUSELHZNJNPJ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.6
[M+Na]+ 367.11520 186.5
[M-H]- 343.11870 186.5
[M+NH4]+ 362.15980 191.1
[M+K]+ 383.08914 185.9
[M+H-H2O]+ 327.12324 169.0
[M+HCOO]- 389.12418 197.4
[M+CH3COO]- 403.13983 214.6
[M+Na-2H]- 365.10065 181.1
[M]+ 344.12543 185.2
[M]- 344.12653 185.2
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.