CID 135491446

Chembl192755

Structural Information

Molecular Formula
C12H8N4O3
SMILES
C1=CC2=C(C3=C(NN=C3C(=C2C=C1)O)C(=O)N=N)O
InChI
InChI=1S/C12H8N4O3/c13-14-12(19)9-7-8(15-16-9)11(18)6-4-2-1-3-5(6)10(7)17/h1-4,13,17-18H,(H,15,16)
InChIKey
PJQHBLJJUBQRRK-UHFFFAOYSA-N
Compound name
4,9-dihydroxy-N-imino-2H-benzo[f]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.05963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06691 151.5
[M+Na]+ 279.04885 162.3
[M-H]- 255.05235 153.5
[M+NH4]+ 274.09345 168.1
[M+K]+ 295.02279 157.4
[M+H-H2O]+ 239.05689 144.6
[M+HCOO]- 301.05783 173.3
[M+CH3COO]- 315.07348 163.7
[M+Na-2H]- 277.03430 159.2
[M]+ 256.05908 152.2
[M]- 256.06018 152.2
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.