CID 739902

N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide

Structural Information

Molecular Formula
C14H8Cl2N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2OS/c15-8-5-6-9(10(16)7-8)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,(H,17,18,19)
InChIKey
IYKYUDCCMHWRAT-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

321.97345 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.98073 167.3
[M+Na]+ 344.96267 179.7
[M-H]- 320.96617 174.4
[M+NH4]+ 340.00727 185.2
[M+K]+ 360.93661 172.2
[M+H-H2O]+ 304.97071 161.8
[M+HCOO]- 366.97165 178.2
[M+CH3COO]- 380.98730 179.8
[M+Na-2H]- 342.94812 170.0
[M]+ 321.97290 174.3
[M]- 321.97400 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe