CID 56766714

6-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,3,4,5-tetrahydropyridazin-3-one

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CCC1=NOC(=N1)C2=NNC(=O)CC2
InChI
InChI=1S/C8H10N4O2/c1-2-6-9-8(14-12-6)5-3-4-7(13)11-10-5/h2-4H2,1H3,(H,11,13)
InChIKey
PQBCORDVTXTXRD-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 141.8
[M+Na]+ 217.069588 150.7
[M-H]- 193.073094 142.6
[M+NH4]+ 212.114193 155.5
[M+K]+ 233.043528 148.6
[M+H-H2O]+ 177.077630 132.8
[M+HCOO]- 239.078571 158.8
[M+CH3COO]- 253.094221 153.6
[M+Na-2H]- 215.055036 146.6
[M]+ 194.07982142 140.4
[M]- 194.08091858 140.4
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.