CID 501283

5,8-dihydroxy-3-methyl-1h-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C12H8N2O4
SMILES
CC1=C2C(=NN1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C12H8N2O4/c1-4-7-10(14-13-4)12(18)9-6(16)3-2-5(15)8(9)11(7)17/h2-3,15-16H,1H3,(H,13,14)
InChIKey
BKSDQRSYOGAADM-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-3-methyl-2H-benzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.0484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.055676 151.3
[M+Na]+ 267.037618 163.3
[M-H]- 243.041124 151.7
[M+NH4]+ 262.082223 168.7
[M+K]+ 283.011558 157.9
[M+H-H2O]+ 227.045660 145.6
[M+HCOO]- 289.046601 167.6
[M+CH3COO]- 303.062251 163.4
[M+Na-2H]- 265.023066 155.0
[M]+ 244.04785142 151.5
[M]- 244.04894858 151.5
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

No patent data available for this compound.