CID 2392255

2-chloro-n-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide

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 153.0
[M+Na]+ 277.01728 164.9
[M-H]- 253.02078 157.6
[M+NH4]+ 272.06188 173.7
[M+K]+ 292.99122 159.5
[M+H-H2O]+ 237.02532 147.9
[M+HCOO]- 299.02626 168.3
[M+CH3COO]- 313.04191 194.2
[M+Na-2H]- 275.00273 155.4
[M]+ 254.02751 159.9
[M]- 254.02861 159.9
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

No patent data available for this compound.