CID 501288

5-methoxy-1-methyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C2=O)C=CC=C3OC
InChI
InChI=1S/C13H10N2O3/c1-15-11-8(6-14-15)12(16)10-7(13(11)17)4-3-5-9(10)18-2/h3-6H,1-2H3
InChIKey
WCOGDVAZSWHRQD-UHFFFAOYSA-N
Compound name
5-methoxy-1-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 151.2
[M+Na]+ 265.05836 163.4
[M-H]- 241.06186 155.1
[M+NH4]+ 260.10296 170.6
[M+K]+ 281.03230 159.5
[M+H-H2O]+ 225.06640 144.2
[M+HCOO]- 287.06734 171.6
[M+CH3COO]- 301.08299 194.6
[M+Na-2H]- 263.04381 156.2
[M]+ 242.06859 155.2
[M]- 242.06969 155.2
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.