CID 455747

Ms-1010

Structural Information

Molecular Formula

C₁₄H₁₂N₂OS

SMILES

CCC1=C(N2C=CSC2=N1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N2OS/c1-2-11-12(16-8-9-18-14(16)15-11)13(17)10-6-4-3-5-7-10/h3-9H,2H2,1H3

InChIKey

GDLOWUYYJLXURL-UHFFFAOYSA-N

Compound name

(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.06705 Da
Monoisotopic Mass: 4.4
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]+	257.074326	157.2
[M+Na]+	279.056268	169.0
[M-H]-	255.059774	164.1
[M+NH4]+	274.100873	177.3
[M+K]+	295.030208	164.6
[M+H-H2O]+	239.064310	150.7
[M+HCOO]-	301.065251	176.7
[M+CH3COO]-	315.080901	170.9
[M+Na-2H]-	277.041716	158.1
[M]+	256.06650142	163.0
[M]-	256.06759858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.