CID 22680373

2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CCC1=C(SC(=N1)C2=CC=C(C=C2)OCC)C(=O)O
InChI
InChI=1S/C14H15NO3S/c1-3-11-12(14(16)17)19-13(15-11)9-5-7-10(8-6-9)18-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKey
JZUGNACNWOMJGN-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.07727 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 161.9
[M+Na]+ 300.06649 170.9
[M-H]- 276.06999 166.9
[M+NH4]+ 295.11109 178.8
[M+K]+ 316.04043 166.9
[M+H-H2O]+ 260.07453 155.2
[M+HCOO]- 322.07547 179.1
[M+CH3COO]- 336.09112 195.2
[M+Na-2H]- 298.05194 160.9
[M]+ 277.07672 167.0
[M]- 277.07782 167.0
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.