CID 941149

87992-61-8

Structural Information

Molecular Formula
C16H13ClN2OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C16H13ClN2OS/c1-10-2-7-13-14(8-10)21-16(19-13)11-3-5-12(6-4-11)18-15(20)9-17/h2-8H,9H2,1H3,(H,18,20)
InChIKey
QJGSHPBQTMVTJR-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0437 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05098 169.8
[M+Na]+ 339.03292 185.4
[M+NH4]+ 334.07752 179.5
[M+K]+ 355.00686 176.1
[M-H]- 315.03642 175.2
[M+Na-2H]- 337.01837 178.4
[M]+ 316.04315 174.5
[M]- 316.04425 174.5
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.