CID 501290

5-hydroxy-1,7-dimethyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)N(N=C3)C
InChI
InChI=1S/C13H10N2O3/c1-6-3-7-10(9(16)4-6)12(17)8-5-14-15(2)11(8)13(7)18/h3-5,16H,1-2H3
InChIKey
BYXIKKDSAIJNMX-UHFFFAOYSA-N
Compound name
5-hydroxy-1,7-dimethylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 151.8
[M+Na]+ 265.05836 164.6
[M-H]- 241.06186 154.9
[M+NH4]+ 260.10296 170.9
[M+K]+ 281.03230 159.9
[M+H-H2O]+ 225.06640 145.5
[M+HCOO]- 287.06734 170.8
[M+CH3COO]- 301.08299 193.5
[M+Na-2H]- 263.04381 155.8
[M]+ 242.06859 154.6
[M]- 242.06969 154.6
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.