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 150.2
[M+Na]+ 258.09614 159.1
[M-H]- 234.09964 153.8
[M+NH4]+ 253.14074 160.9
[M+K]+ 274.07008 157.6
[M+H-H2O]+ 218.10418 140.2
[M+HCOO]- 280.10512 166.1
[M+CH3COO]- 294.12077 161.5
[M+Na-2H]- 256.08159 152.9
[M]+ 235.10637 149.5
[M]- 235.10747 149.5
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.