CID 25102

Norsolorinate(1-)

Structural Information

Molecular Formula
C20H18O7
SMILES
CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O
InChI
InChI=1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3
InChIKey
XIJDBHLQUYAZJI-UHFFFAOYSA-N
Compound name
2-hexanoyl-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

37
Patents

370.10526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 181.8
[M+Na]+ 393.09448 190.7
[M-H]- 369.09798 182.7
[M+NH4]+ 388.13908 194.0
[M+K]+ 409.06842 186.2
[M+H-H2O]+ 353.10252 175.5
[M+HCOO]- 415.10346 195.0
[M+CH3COO]- 429.11911 215.2
[M+Na-2H]- 391.07993 181.8
[M]+ 370.10471 185.0
[M]- 370.10581 185.0
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