CID 5386959

58130-91-9

Structural Information

Molecular Formula
C19H18O9
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O
InChI
InChI=1S/C19H18O9/c1-24-10-7-8(5-6-9(10)20)15-18(26-3)13(22)11-12(21)17(25-2)14(23)19(27-4)16(11)28-15/h5-7,20-21,23H,1-4H3
InChIKey
DEQJJTUOVGHXHW-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

390.0951 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10238 185.4
[M+Na]+ 413.08432 196.3
[M-H]- 389.08782 191.9
[M+NH4]+ 408.12892 195.3
[M+K]+ 429.05826 196.1
[M+H-H2O]+ 373.09236 176.9
[M+HCOO]- 435.09330 203.6
[M+CH3COO]- 449.10895 219.0
[M+Na-2H]- 411.06977 187.7
[M]+ 390.09455 196.0
[M]- 390.09565 196.0
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