CID 2392255

568551-21-3

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCl)C
InChI
InChI=1S/C11H11ClN2OS/c1-6-3-7(2)10-8(4-6)16-11(14-10)13-9(15)5-12/h3-4H,5H2,1-2H3,(H,13,14,15)
InChIKey
KWRIGKBFSMBPDF-UHFFFAOYSA-N
Compound name
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 153.8
[M+Na]+ 277.01728 167.3
[M+NH4]+ 272.06188 163.0
[M+K]+ 292.99122 159.6
[M-H]- 253.02078 156.3
[M+Na-2H]- 275.00273 159.3
[M]+ 254.02751 157.2
[M]- 254.02861 157.2
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.