CID 6480780

Chembl192140

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(NN=C3C2=O)C(=O)NCCO
InChI
InChI=1S/C14H11N3O4/c18-6-5-15-14(21)11-9-10(16-17-11)13(20)8-4-2-1-3-7(8)12(9)19/h1-4,18H,5-6H2,(H,15,21)(H,16,17)
InChIKey
PGSGXFIBDSJMEV-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4,9-dioxo-2H-benzo[f]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.07495 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 161.1
[M+Na]+ 308.06417 170.0
[M-H]- 284.06767 161.9
[M+NH4]+ 303.10877 176.5
[M+K]+ 324.03811 164.9
[M+H-H2O]+ 268.07221 154.1
[M+HCOO]- 330.07315 178.6
[M+CH3COO]- 344.08880 198.6
[M+Na-2H]- 306.04962 165.3
[M]+ 285.07440 160.9
[M]- 285.07550 160.9
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.