CID 501295

1-ethyl-3-methyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CCN1C2=C(C(=N1)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H12N2O2/c1-3-16-12-11(8(2)15-16)13(17)9-6-4-5-7-10(9)14(12)18/h4-7H,3H2,1-2H3
InChIKey
QMUCOSLHXVATBZ-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 153.0
[M+Na]+ 263.07909 165.0
[M-H]- 239.08259 156.8
[M+NH4]+ 258.12369 172.6
[M+K]+ 279.05303 160.2
[M+H-H2O]+ 223.08713 145.9
[M+HCOO]- 285.08807 172.9
[M+CH3COO]- 299.10372 166.3
[M+Na-2H]- 261.06454 157.3
[M]+ 240.08932 155.9
[M]- 240.09042 155.9
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.