CID 3005684

71555-28-7

Structural Information

Molecular Formula

C₁₃H₁₈N₄S

SMILES

CC(=NNC(=S)N1CCCCC1)C2=CC=CC=N2

InChI

InChI=1S/C13H18N4S/c1-11(12-7-3-4-8-14-12)15-16-13(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)

InChIKey

JLQJXIRORURHRB-UHFFFAOYSA-N

Compound name

N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 13
Patents: 262.1252 Da
Monoisotopic Mass: 2.1
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]+	263.13248	159.7
[M+Na]+	285.11442	163.1
[M-H]-	261.11792	163.7
[M+NH4]+	280.15902	173.7
[M+K]+	301.08836	159.3
[M+H-H2O]+	245.12246	150.4
[M+HCOO]-	307.12340	174.3
[M+CH3COO]-	321.13905	199.5
[M+Na-2H]-	283.09987	161.9
[M]+	262.12465	155.1
[M]-	262.12575	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe