CID 3851603

Ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate

Structural Information

Molecular Formula
C8H8ClN3O2S
SMILES
CCOC(=O)CNC1=NC(=C(S1)C#N)Cl
InChI
InChI=1S/C8H8ClN3O2S/c1-2-14-6(13)4-11-8-12-7(9)5(3-10)15-8/h2,4H2,1H3,(H,11,12)
InChIKey
PXVIWSTWEYYIOC-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

245.00258 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.009856 153.7
[M+Na]+ 267.991798 164.8
[M-H]- 243.995304 156.6
[M+NH4]+ 263.036403 171.0
[M+K]+ 283.965738 161.5
[M+H-H2O]+ 227.999840 141.3
[M+HCOO]- 290.000781 165.6
[M+CH3COO]- 304.016431 201.5
[M+Na-2H]- 265.977246 154.2
[M]+ 245.00203142 154.1
[M]- 245.00312858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.