CID 5272653

29080-58-8

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
InChI
InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3
InChIKey
HIXDQWDOVZUNNA-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7679
Patents

328.0947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.1
[M+Na]+ 351.083918 183.0
[M-H]- 327.087424 180.6
[M+NH4]+ 346.128523 185.7
[M+K]+ 367.057858 181.5
[M+H-H2O]+ 311.091960 163.8
[M+HCOO]- 373.092901 193.6
[M+CH3COO]- 387.108551 208.8
[M+Na-2H]- 349.069366 177.4
[M]+ 328.09415142 180.4
[M]- 328.09524858 180.4
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