CID 65416185

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

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CN=C(C=C1C2=NC(=NO2)N)N
InChI
InChI=1S/C7H7N5O/c8-5-3-4(1-2-10-5)6-11-7(9)12-13-6/h1-3H,(H2,8,10)(H2,9,12)
InChIKey
NIPFGPYXWPGGES-UHFFFAOYSA-N
Compound name
5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06506 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.072336 134.7
[M+Na]+ 200.054278 144.7
[M-H]- 176.057784 138.4
[M+NH4]+ 195.098883 150.3
[M+K]+ 216.028218 142.5
[M+H-H2O]+ 160.062320 125.9
[M+HCOO]- 222.063261 158.4
[M+CH3COO]- 236.078911 148.1
[M+Na-2H]- 198.039726 142.0
[M]+ 177.06451142 133.2
[M]- 177.06560858 133.2
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.