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 158.7
[M+Na]+ 288.07432 167.1
[M-H]- 264.07782 166.8
[M+NH4]+ 283.11892 171.9
[M+K]+ 304.04826 163.6
[M+H-H2O]+ 248.08236 149.2
[M+HCOO]- 310.08330 181.3
[M+CH3COO]- 324.09895 170.9
[M+Na-2H]- 286.05977 163.4
[M]+ 265.08455 158.6
[M]- 265.08565 158.6
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

patents stripe