CID 501291

5-methoxy-1,7-dimethyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)N(N=C3)C
InChI
InChI=1S/C14H12N2O3/c1-7-4-8-11(10(5-7)19-3)13(17)9-6-15-16(2)12(9)14(8)18/h4-6H,1-3H3
InChIKey
VMRCELPDKMQOQZ-UHFFFAOYSA-N
Compound name
5-methoxy-1,7-dimethylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.9
[M+Na]+ 279.073998 168.5
[M-H]- 255.077504 160.0
[M+NH4]+ 274.118603 175.0
[M+K]+ 295.047938 164.4
[M+H-H2O]+ 239.082040 149.0
[M+HCOO]- 301.082981 175.9
[M+CH3COO]- 315.098631 198.8
[M+Na-2H]- 277.059446 159.7
[M]+ 256.08423142 160.7
[M]- 256.08532858 160.7
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.