CID 42608125

5,4'-dihydroxy-6,7,8-trimethoxyflavanone

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C18H18O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-7,12,19,21H,8H2,1-3H3
InChIKey
TZVHQZKWRMUZBY-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.112536 176.4
[M+Na]+ 369.094478 185.4
[M-H]- 345.097984 183.1
[M+NH4]+ 364.139083 188.5
[M+K]+ 385.068418 184.3
[M+H-H2O]+ 329.102520 168.5
[M+HCOO]- 391.103461 193.6
[M+CH3COO]- 405.119111 211.0
[M+Na-2H]- 367.079926 179.1
[M]+ 346.10471142 182.0
[M]- 346.10580858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.