CID 11795135

Dulxanthone e

Structural Information

Molecular Formula
C22H22O7
SMILES
CC1(C=CC2=C(O1)C(=C3C(=C2OC)C(=O)C4=C(O3)C(=C(C=C4)OC)OC)OC)C
InChI
InChI=1S/C22H22O7/c1-22(2)10-9-12-16(25-4)14-15(23)11-7-8-13(24-3)19(26-5)17(11)28-20(14)21(27-6)18(12)29-22/h7-10H,1-6H3
InChIKey
DLIXREHRECIYQJ-UHFFFAOYSA-N
Compound name
5,9,10,12-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

398.13657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 191.7
[M+Na]+ 421.12579 204.8
[M-H]- 397.12929 201.0
[M+NH4]+ 416.17039 206.1
[M+K]+ 437.09973 205.1
[M+H-H2O]+ 381.13383 182.4
[M+HCOO]- 443.13477 209.8
[M+CH3COO]- 457.15042 227.6
[M+Na-2H]- 419.11124 199.2
[M]+ 398.13602 206.0
[M]- 398.13712 206.0
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