CID 53407520

Ethyl 2-(4-ethylphenyl)thiazole-4-carboxylate

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC
InChI
InChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKey
VZKQGDPMMDOKOS-UHFFFAOYSA-N
Compound name
ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.08234 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 159.1
[M+Na]+ 284.07156 168.0
[M-H]- 260.07506 165.3
[M+NH4]+ 279.11616 177.3
[M+K]+ 300.04550 164.4
[M+H-H2O]+ 244.07960 152.0
[M+HCOO]- 306.08054 177.6
[M+CH3COO]- 320.09619 193.9
[M+Na-2H]- 282.05701 159.0
[M]+ 261.08179 164.2
[M]- 261.08289 164.2
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

patents stripe