CID 183891

107842-47-7

Structural Information

Molecular Formula

C₁₁H₁₀N₄S

SMILES

CC1=NN(C2=NSC(=C12)N)C3=CC=CC=C3

InChI

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

InChIKey

MGCQMHQYPUVXOL-UHFFFAOYSA-N

Compound name

4-methyl-6-phenylpyrazolo[3,4-c][1,2]thiazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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	161.0
[M-H]-	229.05534	153.2
[M+NH4]+	248.09644	167.3
[M+K]+	269.02578	156.0
[M+H-H2O]+	213.05988	140.6
[M+HCOO]-	275.06082	167.7
[M+CH3COO]-	289.07647	161.7
[M+Na-2H]-	251.03729	150.0
[M]+	230.06207	151.5
[M]-	230.06317	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.