CID 3034490

5424-84-0

Structural Information

Molecular Formula

C₁₀H₁₅N₃OS

SMILES

C1CCN(CC1)CC2=CNC(=S)NC2=O

InChI

InChI=1S/C10H15N3OS/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)

InChIKey

HVNGXJJCRHNOQC-UHFFFAOYSA-N

Compound name

5-(piperidin-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.09358 Da
Monoisotopic Mass: 0.3
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]+	226.100856	149.2
[M+Na]+	248.082798	156.5
[M-H]-	224.086304	148.7
[M+NH4]+	243.127403	162.4
[M+K]+	264.056738	150.1
[M+H-H2O]+	208.090840	141.3
[M+HCOO]-	270.091781	159.2
[M+CH3COO]-	284.107431	158.9
[M+Na-2H]-	246.068246	150.8
[M]+	225.09303142	143.5
[M]-	225.09412858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe