CID 1540618

6-methyl-5-propyl-2-thiouracil

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CCCC1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C8H12N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)

InChIKey

XZVYOSIHDWNKKK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 184.06703 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]+	185.07431	139.7
[M+Na]+	207.05625	152.4
[M+NH4]+	202.10085	146.9
[M+K]+	223.03019	144.4
[M-H]-	183.05975	139.7
[M+Na-2H]-	205.04170	144.0
[M]+	184.06648	141.8
[M]-	184.06758	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe