CID 25102

Norsolorinic acid

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
2
Annotation Hits

31
References

54
Patents

370.10526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.112536 181.8
[M+Na]+ 393.094478 190.7
[M-H]- 369.097984 182.7
[M+NH4]+ 388.139083 194.0
[M+K]+ 409.068418 186.2
[M+H-H2O]+ 353.102520 175.5
[M+HCOO]- 415.103461 195.0
[M+CH3COO]- 429.119111 215.2
[M+Na-2H]- 391.079926 181.8
[M]+ 370.10471142 185.0
[M]- 370.10580858 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