CID 10549707

Dulxanthone h

Structural Information

Molecular Formula
C22H22O8
SMILES
CC1(C=CC2=C(O1)C(=C3C(=C2OC)C(=O)C4=C(O3)C(=C(C=C4O)OC)OC)OC)C
InChI
InChI=1S/C22H22O8/c1-22(2)8-7-10-16(26-4)14-15(24)13-11(23)9-12(25-3)18(27-5)19(13)29-20(14)21(28-6)17(10)30-22/h7-9,23H,1-6H3
InChIKey
ZDTZJKWWYCZWNK-UHFFFAOYSA-N
Compound name
7-hydroxy-5,9,10,12-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

414.13147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13875 194.8
[M+Na]+ 437.12069 207.9
[M-H]- 413.12419 203.1
[M+NH4]+ 432.16529 208.0
[M+K]+ 453.09463 208.6
[M+H-H2O]+ 397.12873 185.8
[M+HCOO]- 459.12967 211.4
[M+CH3COO]- 473.14532 229.4
[M+Na-2H]- 435.10614 201.6
[M]+ 414.13092 209.3
[M]- 414.13202 209.3
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

patents stripe