CID 136333896

4-ethyl-2-(1h-imidazol-4-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H9N3S
SMILES
CCC1=CSC(=N1)C2=CN=CN2
InChI
InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)
InChIKey
RXFWINHPQUVOEC-UHFFFAOYSA-N
Compound name
4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 134.7
[M+Na]+ 202.040928 146.6
[M-H]- 178.044434 137.9
[M+NH4]+ 197.085533 154.9
[M+K]+ 218.014868 143.0
[M+H-H2O]+ 162.048970 127.8
[M+HCOO]- 224.049911 154.0
[M+CH3COO]- 238.065561 148.9
[M+Na-2H]- 200.026376 136.7
[M]+ 179.05116142 137.5
[M]- 179.05225858 137.5
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.