CID 501286

1,5-dimethylbenzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C=NN3C
InChI
InChI=1S/C13H10N2O2/c1-7-4-3-5-8-10(7)12(16)9-6-14-15(2)11(9)13(8)17/h3-6H,1-2H3
InChIKey
VIMOLRIVBBOLIP-UHFFFAOYSA-N
Compound name
1,5-dimethylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 148.2
[M+Na]+ 249.063448 160.7
[M-H]- 225.066954 152.2
[M+NH4]+ 244.108053 168.5
[M+K]+ 265.037388 156.2
[M+H-H2O]+ 209.071490 141.4
[M+HCOO]- 271.072431 168.6
[M+CH3COO]- 285.088081 162.0
[M+Na-2H]- 247.048896 153.2
[M]+ 226.07368142 150.9
[M]- 226.07477858 150.9
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.