CID 54678438

Nsc240921

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3OC)OC)OC2=O)O
InChI
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)15-17(19)16-13(23-3)8-12(22-2)9-14(16)24-18(15)20/h4-9,19H,1-3H3
InChIKey
KMPCCVCJEXOHPJ-UHFFFAOYSA-N
Compound name
4-hydroxy-5,7-dimethoxy-3-(4-methoxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.