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]+ 257.09206 155.9
[M+Na]+ 279.07400 168.5
[M-H]- 255.07750 160.0
[M+NH4]+ 274.11860 175.0
[M+K]+ 295.04794 164.4
[M+H-H2O]+ 239.08204 149.0
[M+HCOO]- 301.08298 175.9
[M+CH3COO]- 315.09863 198.8
[M+Na-2H]- 277.05945 159.7
[M]+ 256.08423 160.7
[M]- 256.08533 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.