CID 478112

284681-88-5

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₃S

SMILES

CCC(C)OC1=NC(=CC(=N1)S(=O)(=O)C2=CC=CC(=C2)C)N

InChI

InChI=1S/C15H19N3O3S/c1-4-11(3)21-15-17-13(16)9-14(18-15)22(19,20)12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,16,17,18)

InChIKey

PRVUWMODRYWLGY-UHFFFAOYSA-N

Compound name

2-butan-2-yloxy-6-(3-methylphenyl)sulfonylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.11472 Da
Monoisotopic Mass: 3.0
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]+	322.121996	173.9
[M+Na]+	344.103938	182.3
[M-H]-	320.107444	178.0
[M+NH4]+	339.148543	185.6
[M+K]+	360.077878	177.7
[M+H-H2O]+	304.111980	165.3
[M+HCOO]-	366.112921	188.9
[M+CH3COO]-	380.128571	207.8
[M+Na-2H]-	342.089386	175.9
[M]+	321.11417142	177.6
[M]-	321.11526858	177.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.