CID 501287

1,7-dimethylbenzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)N(N=C3)C
InChI
InChI=1S/C13H10N2O2/c1-7-3-4-8-9(5-7)13(17)11-10(12(8)16)6-14-15(11)2/h3-6H,1-2H3
InChIKey
GXQIWFXIXLCWBF-UHFFFAOYSA-N
Compound name
1,7-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]+ 227.08151 148.2
[M+Na]+ 249.06345 160.7
[M-H]- 225.06695 152.2
[M+NH4]+ 244.10805 168.5
[M+K]+ 265.03739 156.2
[M+H-H2O]+ 209.07149 141.4
[M+HCOO]- 271.07243 168.6
[M+CH3COO]- 285.08808 162.0
[M+Na-2H]- 247.04890 153.2
[M]+ 226.07368 150.9
[M]- 226.07478 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.