CID 15413154

7-hydroxy-5-methoxy-6,8-dimethylflavanone

Structural Information

Molecular Formula
C18H18O4
SMILES
CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)C)O
InChI
InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3
InChIKey
QKZDDOUPWXQRIK-UHFFFAOYSA-N
Compound name
7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2
Patents

298.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.127776 167.7
[M+Na]+ 321.109718 177.1
[M-H]- 297.113224 175.5
[M+NH4]+ 316.154323 182.7
[M+K]+ 337.083658 174.3
[M+H-H2O]+ 281.117760 160.2
[M+HCOO]- 343.118701 186.1
[M+CH3COO]- 357.134351 204.9
[M+Na-2H]- 319.095166 171.0
[M]+ 298.11995142 170.3
[M]- 298.12104858 170.3
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

patents stripe