CID 587146

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

Structural Information

Molecular Formula
C14H9ClN2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18)
InChIKey
AILFLXLQHGXWAO-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.01242 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01970 160.8
[M+Na]+ 311.00164 172.2
[M-H]- 287.00514 168.3
[M+NH4]+ 306.04624 179.5
[M+K]+ 326.97558 165.6
[M+H-H2O]+ 271.00968 154.5
[M+HCOO]- 333.01062 176.9
[M+CH3COO]- 347.02627 173.9
[M+Na-2H]- 308.98709 165.0
[M]+ 288.01187 166.3
[M]- 288.01297 166.3
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