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: 1
Patents: 265.0851 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.092376	158.7
[M+Na]+	288.074318	167.1
[M-H]-	264.077824	166.8
[M+NH4]+	283.118923	171.9
[M+K]+	304.048258	163.6
[M+H-H2O]+	248.082360	149.2
[M+HCOO]-	310.083301	181.3
[M+CH3COO]-	324.098951	170.9
[M+Na-2H]-	286.059766	163.4
[M]+	265.08455142	158.6
[M]-	265.08564858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe