CID 3038252

1-n-butyl-3-(2-pyridyl)-2-thiourea

Structural Information

Molecular Formula

C₁₀H₁₅N₃S

SMILES

CCCCNC(=S)NC1=CC=CC=N1

InChI

InChI=1S/C10H15N3S/c1-2-3-7-12-10(14)13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3,(H2,11,12,13,14)

InChIKey

LXYIUAPDEIGKQI-UHFFFAOYSA-N

Compound name

1-butyl-3-pyridin-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 209.09866 Da
Monoisotopic Mass: 2.3
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]+	210.10594	146.5
[M+Na]+	232.08788	156.5
[M+NH4]+	227.13248	154.5
[M+K]+	248.06182	148.0
[M-H]-	208.09138	149.1
[M+Na-2H]-	230.07333	152.6
[M]+	209.09811	148.9
[M]-	209.09921	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe