CID 483273

3-(4-amino-1-ethyl-3-methyl-1h-5-pyrazolyl)-5-methyl-isoxazole

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

CCN1C(=C(C(=N1)C)N)C2=NOC(=C2)C

InChI

InChI=1S/C10H14N4O/c1-4-14-10(9(11)7(3)12-14)8-5-6(2)15-13-8/h5H,4,11H2,1-3H3

InChIKey

YSKQPGISCMIKNE-UHFFFAOYSA-N

Compound name

1-ethyl-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.11676 Da
Monoisotopic Mass: 0.8
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]+	207.124036	144.4
[M+Na]+	229.105978	156.4
[M-H]-	205.109484	149.3
[M+NH4]+	224.150583	162.0
[M+K]+	245.079918	154.4
[M+H-H2O]+	189.114020	136.7
[M+HCOO]-	251.114961	168.8
[M+CH3COO]-	265.130611	189.1
[M+Na-2H]-	227.091426	147.3
[M]+	206.11621142	148.6
[M]-	206.11730858	148.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.