CID 21721930

3-hydroxy-7,3',4',5'-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-11-5-6-12-13(9-11)26-18(17(21)16(12)20)10-7-14(23-2)19(25-4)15(8-10)24-3/h5-9,21H,1-4H3
InChIKey
FCCNXKMBVZPUNM-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

358.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.112536 179.5
[M+Na]+ 381.094478 190.4
[M-H]- 357.097984 188.1
[M+NH4]+ 376.139083 192.0
[M+K]+ 397.068418 189.6
[M+H-H2O]+ 341.102520 170.8
[M+HCOO]- 403.103461 200.6
[M+CH3COO]- 417.119111 215.4
[M+Na-2H]- 379.079926 183.7
[M]+ 358.10471142 189.9
[M]- 358.10580858 189.9
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