CID 6480778

Chembl193023

Structural Information

Molecular Formula
C13H9N3O3
SMILES
CNC(=O)C1=C2C(=NN1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H9N3O3/c1-14-13(19)10-8-9(15-16-10)12(18)7-5-3-2-4-6(7)11(8)17/h2-5H,1H3,(H,14,19)(H,15,16)
InChIKey
DINZQQQPENKSFZ-UHFFFAOYSA-N
Compound name
N-methyl-4,9-dioxo-2H-benzo[f]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.06439 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07167 154.0
[M+Na]+ 278.05361 164.0
[M-H]- 254.05711 156.3
[M+NH4]+ 273.09821 171.4
[M+K]+ 294.02755 159.3
[M+H-H2O]+ 238.06165 147.0
[M+HCOO]- 300.06259 173.2
[M+CH3COO]- 314.07824 195.5
[M+Na-2H]- 276.03906 158.9
[M]+ 255.06384 153.8
[M]- 255.06494 153.8
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.