CID 9554749

Nsc667892

Structural Information

Molecular Formula

C₁₃H₁₈N₄S

SMILES

CC1=NC(=CC=C1)/C=N/NC(=S)N2CCCCC2

InChI

InChI=1S/C13H18N4S/c1-11-6-5-7-12(15-11)10-14-16-13(18)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9H2,1H3,(H,16,18)/b14-10+

InChIKey

YFCZEYSSYGJTIZ-GXDHUFHOSA-N

Compound name

N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]piperidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1252 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]+	263.132476	159.9
[M+Na]+	285.114418	164.5
[M-H]-	261.117924	164.2
[M+NH4]+	280.159023	174.2
[M+K]+	301.088358	160.1
[M+H-H2O]+	245.122460	150.6
[M+HCOO]-	307.123401	175.5
[M+CH3COO]-	321.139051	199.7
[M+Na-2H]-	283.099866	162.3
[M]+	262.12465142	156.2
[M]-	262.12574858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.