CID 3040205

51807-76-2

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=NOC(=N3)N
InChI
InChI=1S/C15H11N3O2/c16-15-17-14(18-20-15)13(19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)
InChIKey
BSFQIXFSSKCZCR-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0851 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09238 159.3
[M+Na]+ 288.07432 173.8
[M+NH4]+ 283.11892 166.6
[M+K]+ 304.04826 169.4
[M-H]- 264.07782 165.6
[M+Na-2H]- 286.05977 168.9
[M]+ 265.08455 163.1
[M]- 265.08565 163.1
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.