CID 77181160

4'-methoxy-2',3,7-trihydroxyisoflavanone

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=CC(=C(C=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3
InChIKey
KZBMBIHZXUQFOR-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

302.07904 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.086316 165.2
[M+Na]+ 325.068258 174.3
[M-H]- 301.071764 170.5
[M+NH4]+ 320.112863 180.1
[M+K]+ 341.042198 172.0
[M+H-H2O]+ 285.076300 158.4
[M+HCOO]- 347.077241 181.5
[M+CH3COO]- 361.092891 197.3
[M+Na-2H]- 323.053706 170.9
[M]+ 302.07849142 166.6
[M]- 302.07958858 166.6
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