CID 2311153

99845-70-2

Structural Information

Molecular Formula

C₁₁H₁₀N₄S

SMILES

CC1=NN(C(=C1)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3

InChIKey

MAVWAUNAOWRFBW-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 230.06262 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]+	231.06990	147.5
[M+Na]+	253.05184	161.3
[M+NH4]+	248.09644	156.5
[M+K]+	269.02578	156.2
[M-H]-	229.05534	151.2
[M+Na-2H]-	251.03729	154.9
[M]+	230.06207	151.0
[M]-	230.06317	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.