CID 876516

Cbmicro_035700

Structural Information

Molecular Formula

C₁₃H₁₆N₄OS

SMILES

CC1=C(N2C=CSC2=N1)C(=O)NN=C3CCCCC3

InChI

InChI=1S/C13H16N4OS/c1-9-11(17-7-8-19-13(17)14-9)12(18)16-15-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,16,18)

InChIKey

IUDCEPHPBSPKRW-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.1045 Da
Monoisotopic Mass: 3.1
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]+	277.111776	161.4
[M+Na]+	299.093718	169.3
[M-H]-	275.097224	168.3
[M+NH4]+	294.138323	180.3
[M+K]+	315.067658	165.9
[M+H-H2O]+	259.101760	153.8
[M+HCOO]-	321.102701	180.4
[M+CH3COO]-	335.118351	173.4
[M+Na-2H]-	297.079166	162.2
[M]+	276.10395142	162.2
[M]-	276.10504858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.