CID 128798

Nuclomedone

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂S

SMILES

C1CSC2=NC(=O)C(C(=O)N21)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN2O2S/c14-9-3-1-8(2-4-9)7-10-11(17)15-13-16(12(10)18)5-6-19-13/h1-4,10H,5-7H2

InChIKey

QSKVYHYMQQQAFS-UHFFFAOYSA-N

Compound name

6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 61
Patents: 294.02298 Da
Monoisotopic Mass: 2.6
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]+	295.03026	163.2
[M+Na]+	317.01220	177.0
[M+NH4]+	312.05680	172.0
[M+K]+	332.98614	169.0
[M-H]-	293.01570	166.2
[M+Na-2H]-	314.99765	168.4
[M]+	294.02243	166.7
[M]-	294.02353	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe