CID 206702

Benzothiazole, 2-(4-aminopyrazol-1-yl)-

Structural Information

Molecular Formula

C₁₀H₈N₄S

SMILES

C1=CC=C2C(=C1)N=C(S2)N3C=C(C=N3)N

InChI

InChI=1S/C10H8N4S/c11-7-5-12-14(6-7)10-13-8-3-1-2-4-9(8)15-10/h1-6H,11H2

InChIKey

FHXOZUQFLXSUIL-UHFFFAOYSA-N

Compound name

1-(1,3-benzothiazol-2-yl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.04697 Da
Monoisotopic Mass: 2.0
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]+	217.05425	142.4
[M+Na]+	239.03619	156.1
[M+NH4]+	234.08079	151.6
[M+K]+	255.01013	151.0
[M-H]-	215.03969	146.0
[M+Na-2H]-	237.02164	150.3
[M]+	216.04642	145.8
[M]-	216.04752	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe