CID 94069172

1239843-38-9

Structural Information

Molecular Formula
C13H10N4O3
SMILES
COC1=CC=C(C=C1)C2=NOC(=N2)C3=NNC(=O)C=C3
InChI
InChI=1S/C13H10N4O3/c1-19-9-4-2-8(3-5-9)12-14-13(20-17-12)10-6-7-11(18)16-15-10/h2-7H,1H3,(H,16,18)
InChIKey
CJSOITYWNKZDEG-UHFFFAOYSA-N
Compound name
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.0753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 158.8
[M+Na]+ 293.06452 174.5
[M+NH4]+ 288.10912 164.6
[M+K]+ 309.03846 170.7
[M-H]- 269.06802 162.7
[M+Na-2H]- 291.04997 167.7
[M]+ 270.07475 162.0
[M]- 270.07585 162.0
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

patents stripe