CID 455744

Imidazothiazole furan deriv.

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂S

SMILES

CCC1=C(N2C=CSC2=N1)C(=O)C3=CC=CO3

InChI

InChI=1S/C12H10N2O2S/c1-2-8-10(11(15)9-4-3-6-16-9)14-5-7-17-12(14)13-8/h3-7H,2H2,1H3

InChIKey

WLELABHDIHIQSC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 246.0463 Da
Monoisotopic Mass: 3.8
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]+	247.05358	152.9
[M+Na]+	269.03552	166.5
[M-H]-	245.03902	161.6
[M+NH4]+	264.08012	174.1
[M+K]+	285.00946	164.9
[M+H-H2O]+	229.04356	148.1
[M+HCOO]-	291.04450	174.7
[M+CH3COO]-	305.06015	168.2
[M+Na-2H]-	267.02097	153.5
[M]+	246.04575	162.3
[M]-	246.04685	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe