CID 988267

N-(5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C17H12Cl2N2OS
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2OS/c18-13-6-7-15(19)12(8-13)9-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,22)
InChIKey
RGSZICZQEBQBAB-UHFFFAOYSA-N
Compound name
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.00473 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01201 181.7
[M+Na]+ 384.99395 197.5
[M+NH4]+ 380.03855 191.0
[M+K]+ 400.96789 187.5
[M-H]- 360.99745 188.1
[M+Na-2H]- 382.97940 191.4
[M]+ 362.00418 187.0
[M]- 362.00528 187.0
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.