CID 501293

1-ethyl-5,8-dihydroxy-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C13H10N2O4
SMILES
CCN1C2=C(C=N1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C13H10N2O4/c1-2-15-11-6(5-14-15)12(18)9-7(16)3-4-8(17)10(9)13(11)19/h3-5,16-17H,2H2,1H3
InChIKey
MOSHOOYKBZXMCW-UHFFFAOYSA-N
Compound name
1-ethyl-5,8-dihydroxybenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.06406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 155.2
[M+Na]+ 281.05328 167.2
[M-H]- 257.05678 156.8
[M+NH4]+ 276.09788 172.8
[M+K]+ 297.02722 162.4
[M+H-H2O]+ 241.06132 149.0
[M+HCOO]- 303.06226 172.7
[M+CH3COO]- 317.07791 193.4
[M+Na-2H]- 279.03873 158.8
[M]+ 258.06351 157.6
[M]- 258.06461 157.6
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.