CID 3000238

Ddethds

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃S

SMILES

CC1=CN(C(=O)NC1=S)[C@H]2C=C[C@H](O2)CO

InChI

InChI=1S/C10H12N2O3S/c1-6-4-12(10(14)11-9(6)16)8-3-2-7(5-13)15-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,16)/t7-,8+/m0/s1

InChIKey

AMSFVDRQDYZGRS-JGVFFNPUSA-N

Compound name

1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 240.05687 Da
Monoisotopic Mass: -0.2
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]+	241.064146	150.1
[M+Na]+	263.046088	161.1
[M-H]-	239.049594	153.6
[M+NH4]+	258.090693	165.5
[M+K]+	279.020028	156.8
[M+H-H2O]+	223.054130	143.9
[M+HCOO]-	285.055071	164.7
[M+CH3COO]-	299.070721	183.9
[M+Na-2H]-	261.031536	150.4
[M]+	240.05632142	151.9
[M]-	240.05741858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe