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]+ 259.08258 156.2
[M+Na]+ 281.06452 165.8
[M-H]- 257.06802 156.7
[M+NH4]+ 276.10912 168.7
[M+K]+ 297.03846 160.5
[M+H-H2O]+ 241.07256 147.1
[M+HCOO]- 303.07350 171.9
[M+CH3COO]- 317.08915 166.8
[M+Na-2H]- 279.04997 160.3
[M]+ 258.07475 154.5
[M]- 258.07585 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.