CID 2763759

5-methoxy-2-sulfanyl-4-pyrimidinol

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

COC1=CNC(=S)NC1=O

InChI

InChI=1S/C5H6N2O2S/c1-9-3-2-6-5(10)7-4(3)8/h2H,1H3,(H2,6,7,8,10)

InChIKey

CDFYFTSELDPCJA-UHFFFAOYSA-N

Compound name

5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 505
Patents: 158.015 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]+	159.02228	129.6
[M+Na]+	181.00422	142.1
[M+NH4]+	176.04882	136.7
[M+K]+	196.97816	135.1
[M-H]-	157.00772	129.2
[M+Na-2H]-	178.98967	134.5
[M]+	158.01445	131.5
[M]-	158.01555	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe