CID 167616

17060-20-7

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-9,15H,10H2,1-4H3
InChIKey
FPXNMRFTZWGJIT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

344.12598 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe