CID 3040207

Brn 0794457

Structural Information

Molecular Formula

C₁₀H₉N₃O₃

SMILES

COC1=CC=C(C=C1)C(=O)C2=NOC(=N2)N

InChI

InChI=1S/C10H9N3O3/c1-15-7-4-2-6(3-5-7)8(14)9-12-10(11)16-13-9/h2-5H,1H3,(H2,11,12,13)

InChIKey

HIRZWEIDVZCKJV-UHFFFAOYSA-N

Compound name

(5-amino-1,2,4-oxadiazol-3-yl)-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.06439 Da
Monoisotopic Mass: 1.4
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]+	220.07167	144.9
[M+Na]+	242.05361	154.0
[M-H]-	218.05711	150.1
[M+NH4]+	237.09821	160.5
[M+K]+	258.02755	153.0
[M+H-H2O]+	202.06165	136.7
[M+HCOO]-	264.06259	168.1
[M+CH3COO]-	278.07824	188.1
[M+Na-2H]-	240.03906	150.1
[M]+	219.06384	147.0
[M]-	219.06494	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe