CID 42553051

57499-06-6

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)OC)OC)O
InChI
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)16-15(20)14(19)12-8-9-13(22-2)18(23-3)17(12)24-16/h4-9,20H,1-3H3
InChIKey
XTFPORCSCKBAHV-UHFFFAOYSA-N
Compound name
3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

328.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.1
[M+Na]+ 351.08392 183.0
[M-H]- 327.08742 180.6
[M+NH4]+ 346.12852 185.7
[M+K]+ 367.05786 181.5
[M+H-H2O]+ 311.09196 163.8
[M+HCOO]- 373.09290 193.6
[M+CH3COO]- 387.10855 208.8
[M+Na-2H]- 349.06937 177.4
[M]+ 328.09415 180.4
[M]- 328.09525 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