CID 44257591

3'-hydroxy-4',5',7,8-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)OC
InChI
InChI=1S/C19H18O7/c1-22-14-6-5-11-12(20)9-15(26-17(11)19(14)25-4)10-7-13(21)18(24-3)16(8-10)23-2/h5-9,21H,1-4H3
InChIKey
LCFAQXHDTREUOX-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

358.10526 Da
Monoisotopic Mass

2.7
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