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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.