CID 2081014

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-ethylacetamide

Structural Information

Molecular Formula
C8H11ClN2OS
SMILES
CCN(C1=NC(=CS1)CCl)C(=O)C
InChI
InChI=1S/C8H11ClN2OS/c1-3-11(6(2)12)8-10-7(4-9)5-13-8/h5H,3-4H2,1-2H3
InChIKey
QAHGTFJTWCLCBX-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

218.02806 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03534 146.1
[M+Na]+ 241.01728 155.1
[M-H]- 217.02078 150.4
[M+NH4]+ 236.06188 167.1
[M+K]+ 256.99122 152.5
[M+H-H2O]+ 201.02532 140.3
[M+HCOO]- 263.02626 161.3
[M+CH3COO]- 277.04191 189.3
[M+Na-2H]- 239.00273 146.4
[M]+ 218.02751 151.8
[M]- 218.02861 151.8
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.