CID 54592464

N-(1,3-benzothiazol-2-yl)-2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
CN(C1=NC2=CC=CC=C2S1)C(=O)CCl
InChI
InChI=1S/C10H9ClN2OS/c1-13(9(14)6-11)10-12-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3
InChIKey
DKHPUSRJYYCQLY-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 148.8
[M+Na]+ 263.00162 159.6
[M-H]- 239.00512 154.4
[M+NH4]+ 258.04622 170.2
[M+K]+ 278.97556 155.8
[M+H-H2O]+ 223.00966 143.2
[M+HCOO]- 285.01060 165.0
[M+CH3COO]- 299.02625 192.3
[M+Na-2H]- 260.98707 152.5
[M]+ 240.01185 156.0
[M]- 240.01295 156.0
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.