CID 3695956

726154-70-7

Structural Information

Molecular Formula
C12H10N4O3
SMILES
C1CC(=O)N(N=C1C(=O)O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H10N4O3/c17-10-6-5-9(11(18)19)15-16(10)12-13-7-3-1-2-4-8(7)14-12/h1-4H,5-6H2,(H,13,14)(H,18,19)
InChIKey
DUGCHUBWLUWFQS-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0753 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.082576 156.2
[M+Na]+ 281.064518 165.8
[M-H]- 257.068024 156.7
[M+NH4]+ 276.109123 168.7
[M+K]+ 297.038458 160.5
[M+H-H2O]+ 241.072560 147.1
[M+HCOO]- 303.073501 171.9
[M+CH3COO]- 317.089151 166.8
[M+Na-2H]- 279.049966 160.3
[M]+ 258.07475142 154.5
[M]- 258.07584858 154.5
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.