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]+ 245.05568 151.3
[M+Na]+ 267.03762 163.3
[M-H]- 243.04112 151.7
[M+NH4]+ 262.08222 168.7
[M+K]+ 283.01156 157.9
[M+H-H2O]+ 227.04566 145.6
[M+HCOO]- 289.04660 167.6
[M+CH3COO]- 303.06225 163.4
[M+Na-2H]- 265.02307 155.0
[M]+ 244.04785 151.5
[M]- 244.04895 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.