CID 9574202

Imidazothiazole, furan deriv.

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CCC1=C(N2C=CSC2=N1)/C(=N\OCC)/C3=CC=CO3
InChI
InChI=1S/C14H15N3O2S/c1-3-10-13(17-7-9-20-14(17)15-10)12(16-19-4-2)11-6-5-8-18-11/h5-9H,3-4H2,1-2H3/b16-12-
InChIKey
NFCZECHEVUEUHN-VBKFSLOCSA-N
Compound name
(E)-N-ethoxy-1-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(furan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0885 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 165.6
[M+Na]+ 312.07772 177.7
[M-H]- 288.08122 175.2
[M+NH4]+ 307.12232 185.5
[M+K]+ 328.05166 176.4
[M+H-H2O]+ 272.08576 159.7
[M+HCOO]- 334.08670 189.1
[M+CH3COO]- 348.10235 180.1
[M+Na-2H]- 310.06317 166.4
[M]+ 289.08795 176.7
[M]- 289.08905 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.