CID 2819004

Zinc01037355

Structural Information

Molecular Formula

C₁₆H₁₇ClN₄O₂S

SMILES

CC(C)(C)C1=NN2C(=C1)N=CC(=C2N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-16(2,3)13-8-14-19-9-12(15(18)21(14)20-13)24(22,23)11-6-4-10(17)5-7-11/h4-9H,18H2,1-3H3

InChIKey

MIOLADABBREYOE-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-(4-chlorophenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 364.07608 Da
Monoisotopic Mass: 3.7
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]+	365.083356	187.0
[M+Na]+	387.065298	199.7
[M-H]-	363.068804	192.2
[M+NH4]+	382.109903	200.1
[M+K]+	403.039238	192.8
[M+H-H2O]+	347.073340	179.8
[M+HCOO]-	409.074281	197.0
[M+CH3COO]-	423.089931	212.5
[M+Na-2H]-	385.050746	190.6
[M]+	364.07553142	193.7
[M]-	364.07662858	193.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.