CID 135491447

Chembl192948

Structural Information

Molecular Formula
C18H12N4O3
SMILES
C1=CC=C(C=C1)N=NC(=O)C2=C3C(=C4C=CC=CC4=C(C3=NN2)O)O
InChI
InChI=1S/C18H12N4O3/c23-16-11-8-4-5-9-12(11)17(24)14-13(16)15(21-20-14)18(25)22-19-10-6-2-1-3-7-10/h1-9,23-24H,(H,20,21)
InChIKey
OOSUBQBZDCNHOM-UHFFFAOYSA-N
Compound name
4,9-dihydroxy-N-phenylimino-2H-benzo[f]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.09094 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09822 172.4
[M+Na]+ 355.08016 182.1
[M-H]- 331.08366 178.5
[M+NH4]+ 350.12476 186.0
[M+K]+ 371.05410 176.2
[M+H-H2O]+ 315.08820 163.3
[M+HCOO]- 377.08914 194.9
[M+CH3COO]- 391.10479 183.5
[M+Na-2H]- 353.06561 179.9
[M]+ 332.09039 174.2
[M]- 332.09149 174.2
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.