CID 14078484

5,4'-dihydroxy-6,7-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3
InChIKey
DEOJMRBCCZJDEC-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

316.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 169.2
[M+Na]+ 339.08392 178.1
[M-H]- 315.08742 175.7
[M+NH4]+ 334.12852 182.4
[M+K]+ 355.05786 176.2
[M+H-H2O]+ 299.09196 161.6
[M+HCOO]- 361.09290 186.7
[M+CH3COO]- 375.10855 204.3
[M+Na-2H]- 337.06937 172.9
[M]+ 316.09415 172.6
[M]- 316.09525 172.6
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