CID 73071

Skyrin

Structural Information

Molecular Formula
C30H18O10
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O
InChI
InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3
InChIKey
MQSXZQXHIJMNAF-UHFFFAOYSA-N
Compound name
2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

178
Patents

538.09 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.09728 226.7
[M+Na]+ 561.07922 236.6
[M-H]- 537.08272 231.0
[M+NH4]+ 556.12382 232.0
[M+K]+ 577.05316 233.7
[M+H-H2O]+ 521.08726 216.6
[M+HCOO]- 583.08820 232.0
[M+CH3COO]- 597.10385 232.5
[M+Na-2H]- 559.06467 224.6
[M]+ 538.08945 230.4
[M]- 538.09055 230.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.