CID 377338

Nsc658775

Structural Information

Molecular Formula
C14H11N5O2
SMILES
C1=CC(=CC=C1C2=NNC(=O)C(=C2)C(=O)N)N3C=CN=C3
InChI
InChI=1S/C14H11N5O2/c15-13(20)11-7-12(17-18-14(11)21)9-1-3-10(4-2-9)19-6-5-16-8-19/h1-8H,(H2,15,20)(H,18,21)
InChIKey
DXETXLWHKVGQLG-UHFFFAOYSA-N
Compound name
3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

281.09128 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09856 162.5
[M+Na]+ 304.08050 171.8
[M-H]- 280.08400 166.5
[M+NH4]+ 299.12510 173.0
[M+K]+ 320.05444 165.6
[M+H-H2O]+ 264.08854 152.0
[M+HCOO]- 326.08948 182.3
[M+CH3COO]- 340.10513 173.1
[M+Na-2H]- 302.06595 166.1
[M]+ 281.09073 160.3
[M]- 281.09183 160.3
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

patents stripe