CID 3067457

81530-32-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂OS

SMILES

C1CCC(CC1)C2CC(=O)N3CCSC3=N2

InChI

InChI=1S/C12H18N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h9-10H,1-8H2

InChIKey

QRSWMLKBXYRXBE-UHFFFAOYSA-N

Compound name

7-cyclohexyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 238.11398 Da
Monoisotopic Mass: 2.2
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]+	239.121256	154.1
[M+Na]+	261.103198	159.5
[M-H]-	237.106704	157.7
[M+NH4]+	256.147803	172.2
[M+K]+	277.077138	156.1
[M+H-H2O]+	221.111240	146.6
[M+HCOO]-	283.112181	164.1
[M+CH3COO]-	297.127831	164.4
[M+Na-2H]-	259.088646	153.1
[M]+	238.11343142	148.7
[M]-	238.11452858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe