CID 306088

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

Structural Information

Molecular Formula
C12H11ClN2OS
SMILES
CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C12H11ClN2OS/c1-9(16)15(11-5-3-2-4-6-11)12-14-10(7-13)8-17-12/h2-6,8H,7H2,1H3
InChIKey
ZVNIZGVXMHETAB-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.02808 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.035356 157.9
[M+Na]+ 289.017298 166.8
[M-H]- 265.020804 165.3
[M+NH4]+ 284.061903 176.7
[M+K]+ 304.991238 162.6
[M+H-H2O]+ 249.025340 151.0
[M+HCOO]- 311.026281 173.6
[M+CH3COO]- 325.041931 196.7
[M+Na-2H]- 287.002746 158.8
[M]+ 266.02753142 162.9
[M]- 266.02862858 162.9
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