CID 2677018

N-(1,3-benzothiazol-2-yl)-2-iodobenzamide

Structural Information

Molecular Formula
C14H9IN2OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)I
InChI
InChI=1S/C14H9IN2OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-8H,(H,16,17,18)
InChIKey
NTXYTZZMUIKDET-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.94803 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.95531 165.5
[M+Na]+ 402.93725 168.6
[M-H]- 378.94075 165.3
[M+NH4]+ 397.98185 178.8
[M+K]+ 418.91119 169.2
[M+H-H2O]+ 362.94529 154.7
[M+HCOO]- 424.94623 180.8
[M+CH3COO]- 438.96188 173.9
[M+Na-2H]- 400.92270 158.3
[M]+ 379.94748 165.9
[M]- 379.94858 165.9
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

No patent data available for this compound.