CID 6480774

Ethyl 4,9-dioxo-3a,9a-dihydro-1h-benzo[f]indazole-3-carboxylate

Structural Information

Molecular Formula
C14H12N2O4
SMILES
CCOC(=O)C1=NNC2C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H12N2O4/c1-2-20-14(19)11-9-10(15-16-11)13(18)8-6-4-3-5-7(8)12(9)17/h3-6,9-10,15H,2H2,1H3
InChIKey
RJMPPAOGYLTYRK-UHFFFAOYSA-N
Compound name
ethyl 4,9-dioxo-3a,9a-dihydro-1H-benzo[f]indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0797 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 159.2
[M+Na]+ 295.06892 168.5
[M-H]- 271.07242 161.0
[M+NH4]+ 290.11352 176.2
[M+K]+ 311.04286 164.3
[M+H-H2O]+ 255.07696 152.2
[M+HCOO]- 317.07790 175.8
[M+CH3COO]- 331.09355 196.0
[M+Na-2H]- 293.05437 162.1
[M]+ 272.07915 160.0
[M]- 272.08025 160.0
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.