CID 464742

181507-36-8

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃S

SMILES

C1C(=O)N(C(S1)CO)CCN2C=CC(=NC2=O)N

InChI

InChI=1S/C10H14N4O3S/c11-7-1-2-13(10(17)12-7)3-4-14-8(16)6-18-9(14)5-15/h1-2,9,15H,3-6H2,(H2,11,12,17)

InChIKey

GDNFOYSNVGURSR-UHFFFAOYSA-N

Compound name

3-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.07867 Da
Monoisotopic Mass: -1.7
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]+	271.085946	158.7
[M+Na]+	293.067888	167.8
[M-H]-	269.071394	160.4
[M+NH4]+	288.112493	172.5
[M+K]+	309.041828	163.2
[M+H-H2O]+	253.075930	150.9
[M+HCOO]-	315.076871	173.2
[M+CH3COO]-	329.092521	193.9
[M+Na-2H]-	291.053336	157.6
[M]+	270.07812142	159.1
[M]-	270.07921858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe