CID 56658060

Dihydroisorhamnetin

Structural Information

Molecular Formula
C16H14O7
SMILES
COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
InChIKey
JWYULKXTGMJKKM-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

34
Patents

318.07394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 168.3
[M+Na]+ 341.06316 177.4
[M-H]- 317.06666 172.6
[M+NH4]+ 336.10776 180.2
[M+K]+ 357.03710 175.0
[M+H-H2O]+ 301.07120 161.3
[M+HCOO]- 363.07214 183.2
[M+CH3COO]- 377.08779 201.0
[M+Na-2H]- 339.04861 171.1
[M]+ 318.07339 169.8
[M]- 318.07449 169.8
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