CID 3067460

Spiro(cyclohexane-1,7'-(7h)thiazolo(3,2-a)pyrimidin)-5'(6'h)-one, 2',3'-dihydro-

Structural Information

Molecular Formula

C₁₁H₁₆N₂OS

SMILES

C1CCC2(CC1)CC(=O)N3CCSC3=N2

InChI

InChI=1S/C11H16N2OS/c14-9-8-11(4-2-1-3-5-11)12-10-13(9)6-7-15-10/h1-8H2

InChIKey

NQTMNEPPVJVILS-UHFFFAOYSA-N

Compound name

spiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-7,1'-cyclohexane]-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 224.09833 Da
Monoisotopic Mass: 1.4
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]+	225.105606	149.6
[M+Na]+	247.087548	156.1
[M-H]-	223.091054	152.4
[M+NH4]+	242.132153	170.6
[M+K]+	263.061488	153.0
[M+H-H2O]+	207.095590	142.6
[M+HCOO]-	269.096531	159.9
[M+CH3COO]-	283.112181	160.5
[M+Na-2H]-	245.072996	151.6
[M]+	224.09778142	144.6
[M]-	224.09887858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe