CID 9860663

2,7-dihydroxy-4'-methoxyisoflavanone

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC=C(C=C1)C2C(OC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3
InChIKey
PKQQPELXMZRYJY-UHFFFAOYSA-N
Compound name
2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

8
Patents

286.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.3
[M+Na]+ 309.07336 176.9
[M+NH4]+ 304.11796 169.9
[M+K]+ 325.04730 171.0
[M-H]- 285.07686 167.2
[M+Na-2H]- 307.05881 168.1
[M]+ 286.08359 165.8
[M]- 286.08469 165.8
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