CID 3070352

2,3,6,7-tetrahydro-3-phenyl-2-(2-phenylethyl)-5h-thiazolo(3,2-a)pyrimidin-3-ol

Structural Information

Molecular Formula

C₂₀H₂₂N₂OS

SMILES

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

InChI

InChI=1S/C20H22N2OS/c23-20(17-10-5-2-6-11-17)18(13-12-16-8-3-1-4-9-16)24-19-21-14-7-15-22(19)20/h1-6,8-11,18,23H,7,12-15H2

InChIKey

SEWXAQRQJXCXSH-UHFFFAOYSA-N

Compound name

3-phenyl-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: 338.1453 Da
Monoisotopic Mass: 3.6
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]+	339.152576	179.2
[M+Na]+	361.134518	186.0
[M-H]-	337.138024	185.2
[M+NH4]+	356.179123	194.3
[M+K]+	377.108458	179.3
[M+H-H2O]+	321.142560	170.1
[M+HCOO]-	383.143501	190.8
[M+CH3COO]-	397.159151	188.5
[M+Na-2H]-	359.119966	180.5
[M]+	338.14475142	177.4
[M]-	338.14584858	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.