CID 75480427

3-[5-(1-methyl-1h-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CN1C=C(C=N1)C2=NC(=NO2)C3COCCN3
InChI
InChI=1S/C10H13N5O2/c1-15-5-7(4-12-15)10-13-9(14-17-10)8-6-16-3-2-11-8/h4-5,8,11H,2-3,6H2,1H3
InChIKey
DKBAKNZFSBJHFO-UHFFFAOYSA-N
Compound name
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 149.8
[M+Na]+ 258.09614 162.6
[M+NH4]+ 253.14074 155.7
[M+K]+ 274.07008 162.5
[M-H]- 234.09964 153.6
[M+Na-2H]- 256.08159 155.8
[M]+ 235.10637 152.5
[M]- 235.10747 152.5
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.