CID 5384873

Nsc368695

Structural Information

Molecular Formula
C19H10O6
SMILES
CC1=CC2=CC(=C3C(=C2C(=O)C1=O)C(=O)C4=C(C3=O)C(=CC=C4)O)O
InChI
InChI=1S/C19H10O6/c1-7-5-8-6-11(21)14-15(12(8)19(25)16(7)22)17(23)9-3-2-4-10(20)13(9)18(14)24/h2-6,20-21H,1H3
InChIKey
JAWFNCJSTUYIEN-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3-methylbenzo[a]anthracene-1,2,7,12-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.04773 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05501 169.2
[M+Na]+ 357.03695 184.0
[M-H]- 333.04045 175.5
[M+NH4]+ 352.08155 185.6
[M+K]+ 373.01089 178.8
[M+H-H2O]+ 317.04499 161.8
[M+HCOO]- 379.04593 189.0
[M+CH3COO]- 393.06158 211.6
[M+Na-2H]- 355.02240 175.5
[M]+ 334.04718 175.8
[M]- 334.04828 175.8
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.