CID 155381

Chrysoobtusin

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3
InChIKey
ZMDXTRSTKHTSCE-UHFFFAOYSA-N
Compound name
2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

41
Patents

358.10526 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.0
[M+Na]+ 381.09448 194.4
[M+NH4]+ 376.13908 186.1
[M+K]+ 397.06842 188.7
[M-H]- 357.09798 181.4
[M+Na-2H]- 379.07993 182.4
[M]+ 358.10471 182.4
[M]- 358.10581 182.4
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