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 170.2
[M+Na]+ 339.03292 181.5
[M-H]- 315.03642 177.6
[M+NH4]+ 334.07752 187.9
[M+K]+ 355.00686 174.4
[M+H-H2O]+ 299.04096 163.6
[M+HCOO]- 361.04190 185.5
[M+CH3COO]- 375.05755 182.6
[M+Na-2H]- 337.01837 172.6
[M]+ 316.04315 176.7
[M]- 316.04425 176.7
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

patents stripe