CID 94069168

1239735-78-4

Structural Information

Molecular Formula
C11H7N5O2
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)C3=NNC(=O)C=C3
InChI
InChI=1S/C11H7N5O2/c17-9-4-3-8(14-15-9)11-13-10(16-18-11)7-2-1-5-12-6-7/h1-6H,(H,15,17)
InChIKey
ZHAJRRZRFIOCTJ-UHFFFAOYSA-N
Compound name
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05997 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06725 151.1
[M+Na]+ 264.04919 162.0
[M-H]- 240.05269 154.5
[M+NH4]+ 259.09379 161.0
[M+K]+ 280.02313 157.4
[M+H-H2O]+ 224.05723 140.2
[M+HCOO]- 286.05817 169.7
[M+CH3COO]- 300.07382 162.7
[M+Na-2H]- 262.03464 158.3
[M]+ 241.05942 151.3
[M]- 241.06052 151.3
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.