CID 1540617

39083-15-3

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

CCC1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C7H10N2OS/c1-3-5-4(2)8-7(11)9-6(5)10/h3H2,1-2H3,(H2,8,9,10,11)

InChIKey

UMBJMJGRRXHYBN-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 170.05139 Da
Monoisotopic Mass: 0.8
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]+	171.05867	135.4
[M+Na]+	193.04061	148.3
[M+NH4]+	188.08521	142.7
[M+K]+	209.01455	140.5
[M-H]-	169.04411	135.5
[M+Na-2H]-	191.02606	140.0
[M]+	170.05084	137.5
[M]-	170.05194	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe