CID 14164881

4',5,7-trihydroxy-3-methoxyflavanone

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H14O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,15-19H,1H3
InChIKey
JRLDUAGSJUMVDP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

302.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.0
[M+Na]+ 325.06826 174.0
[M-H]- 301.07176 170.4
[M+NH4]+ 320.11286 178.2
[M+K]+ 341.04220 171.5
[M+H-H2O]+ 285.07630 157.9
[M+HCOO]- 347.07724 181.4
[M+CH3COO]- 361.09289 199.2
[M+Na-2H]- 323.05371 168.8
[M]+ 302.07849 166.4
[M]- 302.07959 166.4
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