CID 13379295

Brn 4512287

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃S

SMILES

CCCOC(=O)NC1=CN=C2N(C1=O)CCS2

InChI

InChI=1S/C10H13N3O3S/c1-2-4-16-10(15)12-7-6-11-9-13(8(7)14)3-5-17-9/h6H,2-5H2,1H3,(H,12,15)

InChIKey

MJFLBNXLPLSRDG-UHFFFAOYSA-N

Compound name

propyl N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06776 Da
Monoisotopic Mass: 0.9
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]+	256.075036	153.7
[M+Na]+	278.056978	162.4
[M-H]-	254.060484	155.9
[M+NH4]+	273.101583	171.4
[M+K]+	294.030918	159.7
[M+H-H2O]+	238.065020	146.8
[M+HCOO]-	300.065961	170.5
[M+CH3COO]-	314.081611	192.5
[M+Na-2H]-	276.042426	156.3
[M]+	255.06721142	157.8
[M]-	255.06830858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.