CID 13514498

Ethyl 5-amino-2-phenylthiazole-4-carboxylate

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H12N2O2S/c1-2-16-12(15)9-10(13)17-11(14-9)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChIKey
NTACPCDBVTXTTE-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-phenyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

248.06195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 154.3
[M+Na]+ 271.051168 163.1
[M-H]- 247.054674 160.1
[M+NH4]+ 266.095773 172.3
[M+K]+ 287.025108 159.4
[M+H-H2O]+ 231.059210 147.1
[M+HCOO]- 293.060151 173.8
[M+CH3COO]- 307.075801 192.2
[M+Na-2H]- 269.036616 154.9
[M]+ 248.06140142 156.9
[M]- 248.06249858 156.9
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