CID 13407487

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

Structural Information

Molecular Formula
C10H7N5O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=NN=C(O3)N
InChI
InChI=1S/C10H7N5O2/c11-10-15-14-9(17-10)8-13-12-7(16-8)6-4-2-1-3-5-6/h1-5H,(H2,11,15)
InChIKey
PSFDQYCVZZJBBC-UHFFFAOYSA-N
Compound name
5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.067246 144.6
[M+Na]+ 252.049188 156.1
[M-H]- 228.052694 151.7
[M+NH4]+ 247.093793 157.3
[M+K]+ 268.023128 154.6
[M+H-H2O]+ 212.057230 135.3
[M+HCOO]- 274.058171 168.1
[M+CH3COO]- 288.073821 158.3
[M+Na-2H]- 250.034636 151.1
[M]+ 229.05942142 147.9
[M]- 229.06051858 147.9
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.