CID 2843820

130623-59-5

Structural Information

Molecular Formula

C₁₄H₁₆N₂OS

SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=NCCN23

InChI

InChI=1S/C14H16N2OS/c1-2-9-17-12-5-3-11(4-6-12)13-10-18-14-15-7-8-16(13)14/h3-6,10H,2,7-9H2,1H3

InChIKey

KCOISEZNGBXGMD-UHFFFAOYSA-N

Compound name

3-(4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 260.09833 Da
Monoisotopic Mass: 2.6
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]+	261.105606	158.9
[M+Na]+	283.087548	168.7
[M-H]-	259.091054	164.7
[M+NH4]+	278.132153	178.8
[M+K]+	299.061488	164.9
[M+H-H2O]+	243.095590	152.1
[M+HCOO]-	305.096531	176.4
[M+CH3COO]-	319.112181	171.6
[M+Na-2H]-	281.072996	159.0
[M]+	260.09778142	163.1
[M]-	260.09887858	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.