CID 2759662

439094-67-4

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂S

SMILES

COC1=CC=CC(=C1)C2=C(N3C=CSC3=N2)C=O

InChI

InChI=1S/C13H10N2O2S/c1-17-10-4-2-3-9(7-10)12-11(8-16)15-5-6-18-13(15)14-12/h2-8H,1H3

InChIKey

XNIVWULZHPGWLV-UHFFFAOYSA-N

Compound name

6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0463 Da
Monoisotopic Mass: 3.3
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]+	259.053576	155.6
[M+Na]+	281.035518	168.8
[M-H]-	257.039024	162.8
[M+NH4]+	276.080123	175.9
[M+K]+	297.009458	164.6
[M+H-H2O]+	241.043560	149.3
[M+HCOO]-	303.044501	176.5
[M+CH3COO]-	317.060151	170.0
[M+Na-2H]-	279.020966	157.5
[M]+	258.04575142	163.3
[M]-	258.04684858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.