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]+ 180.05899 134.7
[M+Na]+ 202.04093 146.6
[M-H]- 178.04443 137.9
[M+NH4]+ 197.08553 154.9
[M+K]+ 218.01487 143.0
[M+H-H2O]+ 162.04897 127.8
[M+HCOO]- 224.04991 154.0
[M+CH3COO]- 238.06556 148.9
[M+Na-2H]- 200.02638 136.7
[M]+ 179.05116 137.5
[M]- 179.05226 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.