CID 4962070

6-methyl-1-(2-nitrophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C12H9N3O5
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C12H9N3O5/c1-7-6-10(16)11(12(17)18)13-14(7)8-4-2-3-5-9(8)15(19)20/h2-6H,1H3,(H,17,18)
InChIKey
JOZVCXWVVHEUMP-UHFFFAOYSA-N
Compound name
6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

275.05423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06151 155.5
[M+Na]+ 298.04345 164.2
[M-H]- 274.04695 159.5
[M+NH4]+ 293.08805 167.3
[M+K]+ 314.01739 156.9
[M+H-H2O]+ 258.05149 151.4
[M+HCOO]- 320.05243 177.3
[M+CH3COO]- 334.06808 190.2
[M+Na-2H]- 296.02890 162.1
[M]+ 275.05368 155.3
[M]- 275.05478 155.3
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.