CID 246331

Nsc59267

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O
InChI
InChI=1S/C15H14O5/c1-20-15-10(16)6-9-11(14(15)19)13(18)8-5-3-2-4-7(8)12(9)17/h6,16,19H,2-5H2,1H3
InChIKey
KZHZAOMCJXXGII-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

33
Patents

274.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 156.5
[M+Na]+ 297.07336 165.6
[M-H]- 273.07686 159.7
[M+NH4]+ 292.11796 174.0
[M+K]+ 313.04730 161.8
[M+H-H2O]+ 257.08140 150.6
[M+HCOO]- 319.08234 172.4
[M+CH3COO]- 333.09799 197.3
[M+Na-2H]- 295.05881 160.3
[M]+ 274.08359 156.3
[M]- 274.08469 156.3
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