CID 45791887

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

Structural Information

Molecular Formula
C12H10Cl2N2OS
SMILES
CC(=O)N(C1=CC=C(C=C1)Cl)C2=NC(=CS2)CCl
InChI
InChI=1S/C12H10Cl2N2OS/c1-8(17)16(11-4-2-9(14)3-5-11)12-15-10(6-13)7-18-12/h2-5,7H,6H2,1H3
InChIKey
GECYJZKMPBHCAZ-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.98907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.99635 163.9
[M+Na]+ 322.97829 173.7
[M-H]- 298.98179 170.9
[M+NH4]+ 318.02289 181.9
[M+K]+ 338.95223 168.5
[M+H-H2O]+ 282.98633 157.8
[M+HCOO]- 344.98727 174.4
[M+CH3COO]- 359.00292 202.2
[M+Na-2H]- 320.96374 163.4
[M]+ 299.98852 170.3
[M]- 299.98962 170.3
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.