CID 10500218

Dulxanthone f

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4OC)OC)OC)C
InChI
InChI=1S/C21H20O7/c1-21(2)7-6-10-11(28-21)8-13-15(17(10)22)18(23)16-12(24-3)9-14(25-4)19(26-5)20(16)27-13/h6-9,22H,1-5H3
InChIKey
JWMHGOJQVCHOPS-UHFFFAOYSA-N
Compound name
5-hydroxy-7,9,10-trimethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

384.1209 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 187.4
[M+Na]+ 407.11012 200.6
[M-H]- 383.11362 195.7
[M+NH4]+ 402.15472 201.8
[M+K]+ 423.08406 200.4
[M+H-H2O]+ 367.11816 178.7
[M+HCOO]- 429.11910 204.4
[M+CH3COO]- 443.13475 222.7
[M+Na-2H]- 405.09557 195.2
[M]+ 384.12035 199.8
[M]- 384.12145 199.8
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