CID 5320444

Artoindonesianin s

Structural Information

Molecular Formula
C22H20O7
SMILES
CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)OC
InChI
InChI=1S/C22H20O7/c1-9(2)11-7-12-20(25)18-13(23)5-10(27-3)6-15(18)29-22(12)19-14(24)8-16(28-4)21(26)17(11)19/h5-6,8,11,23-24,26H,1,7H2,2-4H3
InChIKey
QTSYIEYGKIGDKF-UHFFFAOYSA-N
Compound name
1,4,8-trihydroxy-3,10-dimethoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1209 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12818 190.3
[M+Na]+ 419.11012 200.4
[M-H]- 395.11362 194.5
[M+NH4]+ 414.15472 201.9
[M+K]+ 435.08406 197.8
[M+H-H2O]+ 379.11816 182.6
[M+HCOO]- 441.11910 202.6
[M+CH3COO]- 455.13475 223.9
[M+Na-2H]- 417.09557 192.5
[M]+ 396.12035 196.3
[M]- 396.12145 196.3
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

No patent data available for this compound.