CID 29922258

380626-32-4

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H14N2O3S/c1-3-18-12(16)11-10(15-13(14)19-11)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKey
YHJVTNQLQOBMRK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.0725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 162.6
[M+Na]+ 301.06172 173.7
[M+NH4]+ 296.10632 169.8
[M+K]+ 317.03566 168.2
[M-H]- 277.06522 165.4
[M+Na-2H]- 299.04717 168.1
[M]+ 278.07195 165.2
[M]- 278.07305 165.2
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