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 174.8
[M+Na]+ 371.97356 185.6
[M-H]- 347.97706 182.3
[M+NH4]+ 367.01816 188.7
[M+K]+ 387.94750 177.9
[M+H-H2O]+ 331.98160 167.0
[M+HCOO]- 393.98254 184.1
[M+CH3COO]- 407.99819 185.9
[M+Na-2H]- 369.95901 175.3
[M]+ 348.98379 179.6
[M]- 348.98489 179.6
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.