CID 159926

Macrosporin

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
InChI
InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3
InChIKey
FKTPLNFTYJEAAB-UHFFFAOYSA-N
Compound name
1,7-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

21
Patents

284.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 158.9
[M+Na]+ 307.057698 170.4
[M-H]- 283.061204 163.1
[M+NH4]+ 302.102303 176.4
[M+K]+ 323.031638 166.3
[M+H-H2O]+ 267.065740 152.8
[M+HCOO]- 329.066681 177.3
[M+CH3COO]- 343.082331 200.9
[M+Na-2H]- 305.043146 163.4
[M]+ 284.06793142 162.3
[M]- 284.06902858 162.3
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