CID 3074893

168127-29-5

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C13H14N2O3S/c1-2-17-12(16)7-18-10-5-3-9(4-6-10)11-8-19-13(14)15-11/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChIKey
PREYJPWSPRWJOT-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.079776 161.8
[M+Na]+ 301.061718 169.9
[M-H]- 277.065224 167.4
[M+NH4]+ 296.106323 178.4
[M+K]+ 317.035658 166.5
[M+H-H2O]+ 261.069760 154.2
[M+HCOO]- 323.070701 181.2
[M+CH3COO]- 337.086351 197.3
[M+Na-2H]- 299.047166 162.0
[M]+ 278.07195142 166.1
[M]- 278.07304858 166.1
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.