CID 3070361

86346-96-5

Structural Information

Molecular Formula

C₂₀H₂₀Cl₂N₂OS

SMILES

C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C20H20Cl2N2OS/c21-16-9-8-15(13-17(16)22)20(25)18(10-7-14-5-2-1-3-6-14)26-19-23-11-4-12-24(19)20/h1-3,5-6,8-9,13,18,25H,4,7,10-12H2

InChIKey

CKWHGJQTKKBLLX-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 406.06735 Da
Monoisotopic Mass: 4.9
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]+	407.074626	191.0
[M+Na]+	429.056568	200.2
[M-H]-	405.060074	196.8
[M+NH4]+	424.101173	205.2
[M+K]+	445.030508	191.7
[M+H-H2O]+	389.064610	183.1
[M+HCOO]-	451.065551	192.9
[M+CH3COO]-	465.081201	199.7
[M+Na-2H]-	427.042016	189.8
[M]+	406.06680142	193.3
[M]-	406.06789858	193.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.