CID 478093

284681-52-3

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂S

SMILES

CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=CC(=C2)OC

InChI

InChI=1S/C15H19N3O2S/c1-4-10(2)20-14-9-13(16)17-15(18-14)21-12-7-5-6-11(8-12)19-3/h5-10H,4H2,1-3H3,(H2,16,17,18)

InChIKey

DISDJHUXDIMQTH-UHFFFAOYSA-N

Compound name

6-butan-2-yloxy-2-(3-methoxyphenyl)sulfanylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 305.1198 Da
Monoisotopic Mass: 3.9
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]+	306.127076	170.0
[M+Na]+	328.109018	177.8
[M-H]-	304.112524	173.9
[M+NH4]+	323.153623	182.5
[M+K]+	344.082958	173.3
[M+H-H2O]+	288.117060	160.9
[M+HCOO]-	350.118001	186.1
[M+CH3COO]-	364.133651	206.6
[M+Na-2H]-	326.094466	171.1
[M]+	305.11925142	174.3
[M]-	305.12034858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.