CID 3076270

6-benzyl-5h-imidazo[1,2-b]pyrazole

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1=CC=C(C=C1)CC2=CC3=NC=CN3N2

InChI

InChI=1S/C12H11N3/c1-2-4-10(5-3-1)8-11-9-12-13-6-7-15(12)14-11/h1-7,9,14H,8H2

InChIKey

RZPAPAFMVGDYFE-UHFFFAOYSA-N

Compound name

6-benzyl-5H-imidazo[1,2-b]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.09529 Da
Monoisotopic Mass: 2.7
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]+	198.102566	140.9
[M+Na]+	220.084508	151.3
[M-H]-	196.088014	144.1
[M+NH4]+	215.129113	160.1
[M+K]+	236.058448	146.3
[M+H-H2O]+	180.092550	132.6
[M+HCOO]-	242.093491	163.4
[M+CH3COO]-	256.109141	154.2
[M+Na-2H]-	218.069956	147.1
[M]+	197.09474142	141.3
[M]-	197.09583858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe