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]+ 262.089616 159.1
[M+Na]+ 284.071558 168.0
[M-H]- 260.075064 165.3
[M+NH4]+ 279.116163 177.3
[M+K]+ 300.045498 164.4
[M+H-H2O]+ 244.079600 152.0
[M+HCOO]- 306.080541 177.6
[M+CH3COO]- 320.096191 193.9
[M+Na-2H]- 282.057006 159.0
[M]+ 261.08179142 164.2
[M]- 261.08288858 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