CID 2815690

Ccg-254379

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CCOC(=O)C1=C(N2CCCN=C2S1)C

InChI

InChI=1S/C10H14N2O2S/c1-3-14-9(13)8-7(2)12-6-4-5-11-10(12)15-8/h3-6H2,1-2H3

InChIKey

NTVHZTUWMAMRSQ-UHFFFAOYSA-N

Compound name

ethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 1.3
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]+	227.084876	149.2
[M+Na]+	249.066818	157.7
[M-H]-	225.070324	151.1
[M+NH4]+	244.111423	168.5
[M+K]+	265.040758	155.5
[M+H-H2O]+	209.074860	142.9
[M+HCOO]-	271.075801	163.2
[M+CH3COO]-	285.091451	187.2
[M+Na-2H]-	247.052266	149.9
[M]+	226.07705142	152.0
[M]-	226.07814858	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.