CID 455751

Schembl20181584

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C14H12N2O2S/c1-2-11-12(16-7-8-19-14(16)15-11)13(18)9-3-5-10(17)6-4-9/h3-8,17H,2H2,1H3

InChIKey

BMIOZXXIDLNXLX-UHFFFAOYSA-N

Compound name

(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 272.06195 Da
Monoisotopic Mass: 4.0
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]+	273.06923	160.5
[M+Na]+	295.05117	172.3
[M-H]-	271.05467	166.3
[M+NH4]+	290.09577	179.4
[M+K]+	311.02511	167.6
[M+H-H2O]+	255.05921	154.4
[M+HCOO]-	317.06015	178.5
[M+CH3COO]-	331.07580	173.6
[M+Na-2H]-	293.03662	160.6
[M]+	272.06140	166.2
[M]-	272.06250	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe