CID 8123703

3,4-dichloro-n-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula
C15H9Cl2N3OS
SMILES
C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2N3OS/c16-11-4-3-9(6-12(11)17)14(21)20-15-19-13(8-22-15)10-2-1-5-18-7-10/h1-8H,(H,19,20,21)
InChIKey
TWTCHQYJJJJVLI-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.98434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.99162 176.4
[M+Na]+ 371.97356 192.4
[M+NH4]+ 367.01816 185.1
[M+K]+ 387.94750 183.1
[M-H]- 347.97706 182.1
[M+Na-2H]- 369.95901 186.2
[M]+ 348.98379 181.4
[M]- 348.98489 181.4
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.