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 161.8
[M+Na]+ 301.06172 170.7
[M-H]- 277.06522 167.8
[M+NH4]+ 296.10632 178.7
[M+K]+ 317.03566 167.4
[M+H-H2O]+ 261.06976 154.5
[M+HCOO]- 323.07070 181.1
[M+CH3COO]- 337.08635 198.5
[M+Na-2H]- 299.04717 161.4
[M]+ 278.07195 166.5
[M]- 278.07305 166.5
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