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]+ 246.00986 153.7
[M+Na]+ 267.99180 164.8
[M-H]- 243.99530 156.6
[M+NH4]+ 263.03640 171.0
[M+K]+ 283.96574 161.5
[M+H-H2O]+ 227.99984 141.3
[M+HCOO]- 290.00078 165.6
[M+CH3COO]- 304.01643 201.5
[M+Na-2H]- 265.97725 154.2
[M]+ 245.00203 154.1
[M]- 245.00313 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.