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]+ 236.114196 150.2
[M+Na]+ 258.096138 159.1
[M-H]- 234.099644 153.8
[M+NH4]+ 253.140743 160.9
[M+K]+ 274.070078 157.6
[M+H-H2O]+ 218.104180 140.2
[M+HCOO]- 280.105121 166.1
[M+CH3COO]- 294.120771 161.5
[M+Na-2H]- 256.081586 152.9
[M]+ 235.10637142 149.5
[M]- 235.10746858 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.