CID 44259722

5,2',3'-trihydroxy-3,6,7-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=C(C(=CC=C3)O)O)O)OC
InChI
InChI=1S/C18H16O8/c1-23-11-7-10-12(14(21)17(11)24-2)15(22)18(25-3)16(26-10)8-5-4-6-9(19)13(8)20/h4-7,19-21H,1-3H3
InChIKey
KGPAXFHGNZZWRF-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.0845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 178.4
[M+Na]+ 383.07372 189.3
[M-H]- 359.07722 184.7
[M+NH4]+ 378.11832 189.4
[M+K]+ 399.04766 188.2
[M+H-H2O]+ 343.08176 170.2
[M+HCOO]- 405.08270 196.9
[M+CH3COO]- 419.09835 212.2
[M+Na-2H]- 381.05917 181.7
[M]+ 360.08395 186.8
[M]- 360.08505 186.8
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