CID 66462023

5-(3-chloropyridin-4-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C7H5ClN4O
SMILES
C1=CN=CC(=C1C2=NN=C(O2)N)Cl
InChI
InChI=1S/C7H5ClN4O/c8-5-3-10-2-1-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKey
GCKCANMYUXHJHY-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.022456 137.6
[M+Na]+ 219.004398 148.8
[M-H]- 195.007904 141.1
[M+NH4]+ 214.049003 153.7
[M+K]+ 234.978338 145.5
[M+H-H2O]+ 179.012440 129.2
[M+HCOO]- 241.013381 155.9
[M+CH3COO]- 255.029031 151.1
[M+Na-2H]- 216.989846 144.5
[M]+ 196.01463142 139.3
[M]- 196.01572858 139.3
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.