CID 19709702

Schembl7845174

Structural Information

Molecular Formula

C₁₀H₁₄N₄

SMILES

CCCCC1=NC2=CC=NN2C(=C1)N

InChI

InChI=1S/C10H14N4/c1-2-3-4-8-7-9(11)14-10(13-8)5-6-12-14/h5-7H,2-4,11H2,1H3

InChIKey

WMLBPFXDYDINND-UHFFFAOYSA-N

Compound name

5-butylpyrazolo[1,5-a]pyrimidin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 190.12184 Da
Monoisotopic Mass: 1.7
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]+	191.12912	141.2
[M+Na]+	213.11106	151.8
[M-H]-	189.11456	142.0
[M+NH4]+	208.15566	159.8
[M+K]+	229.08500	147.9
[M+H-H2O]+	173.11910	133.1
[M+HCOO]-	235.12004	164.1
[M+CH3COO]-	249.13569	154.4
[M+Na-2H]-	211.09651	148.4
[M]+	190.12129	143.2
[M]-	190.12239	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe