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]+ 278.084546 161.9
[M+Na]+ 300.066488 170.9
[M-H]- 276.069994 166.9
[M+NH4]+ 295.111093 178.8
[M+K]+ 316.040428 166.9
[M+H-H2O]+ 260.074530 155.2
[M+HCOO]- 322.075471 179.1
[M+CH3COO]- 336.091121 195.2
[M+Na-2H]- 298.051936 160.9
[M]+ 277.07672142 167.0
[M]- 277.07781858 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.