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]+ 230.06725 144.6
[M+Na]+ 252.04919 156.1
[M-H]- 228.05269 151.7
[M+NH4]+ 247.09379 157.3
[M+K]+ 268.02313 154.6
[M+H-H2O]+ 212.05723 135.3
[M+HCOO]- 274.05817 168.1
[M+CH3COO]- 288.07382 158.3
[M+Na-2H]- 250.03464 151.1
[M]+ 229.05942 147.9
[M]- 229.06052 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.