CID 42608054

Cerasinone

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC
InChI
InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3
InChIKey
JVUGHKAZGNYYCA-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.8
[M+Na]+ 353.09957 188.3
[M+NH4]+ 348.14417 180.8
[M+K]+ 369.07351 182.4
[M-H]- 329.10307 178.6
[M+Na-2H]- 351.08502 179.0
[M]+ 330.10980 177.3
[M]- 330.11090 177.3
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

No patent data available for this compound.