CID 343946

Nsc400573

Structural Information

Molecular Formula
C14H10N2O4
SMILES
CCOC(=O)C1=C2C(=NN1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H10N2O4/c1-2-20-14(19)11-9-10(15-16-11)13(18)8-6-4-3-5-7(8)12(9)17/h3-6H,2H2,1H3,(H,15,16)
InChIKey
JHYNFTZWBJKHSN-UHFFFAOYSA-N
Compound name
ethyl 4,9-dioxo-2H-benzo[f]indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 158.0
[M+Na]+ 293.05328 168.3
[M-H]- 269.05678 160.2
[M+NH4]+ 288.09788 175.1
[M+K]+ 309.02722 163.9
[M+H-H2O]+ 253.06132 151.0
[M+HCOO]- 315.06226 176.0
[M+CH3COO]- 329.07791 195.6
[M+Na-2H]- 291.03873 161.8
[M]+ 270.06351 160.2
[M]- 270.06461 160.2
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.