CID 5386963

96887-18-2

Structural Information

Molecular Formula
C21H22O10
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
InChI
InChI=1S/C21H22O10/c1-25-10-7-9(8-11(26-2)17(10)27-3)16-20(29-5)14(23)12-13(22)19(28-4)15(24)21(30-6)18(12)31-16/h7-8,22,24H,1-6H3
InChIKey
QXRNWRWFNALYGH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

434.1213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12858 196.2
[M+Na]+ 457.11052 207.0
[M-H]- 433.11402 203.9
[M+NH4]+ 452.15512 205.0
[M+K]+ 473.08446 208.2
[M+H-H2O]+ 417.11856 186.9
[M+HCOO]- 479.11950 215.1
[M+CH3COO]- 493.13515 230.6
[M+Na-2H]- 455.09597 197.5
[M]+ 434.12075 210.9
[M]- 434.12185 210.9
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