CID 28742873

5-(1-phenyl-1h-pyrazol-4-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H9N5O
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(O3)N
InChI
InChI=1S/C11H9N5O/c12-11-15-14-10(17-11)8-6-13-16(7-8)9-4-2-1-3-5-9/h1-7H,(H2,12,15)
InChIKey
UFAYXMSSZGXPHZ-UHFFFAOYSA-N
Compound name
5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 145.2
[M+Na]+ 250.06992 156.3
[M-H]- 226.07342 151.6
[M+NH4]+ 245.11452 159.4
[M+K]+ 266.04386 153.1
[M+H-H2O]+ 210.07796 135.4
[M+HCOO]- 272.07890 169.2
[M+CH3COO]- 286.09455 158.6
[M+Na-2H]- 248.05537 151.0
[M]+ 227.08015 147.0
[M]- 227.08125 147.0
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

No patent data available for this compound.