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]+ 363.012006 180.6
[M+Na]+ 384.993948 190.6
[M-H]- 360.997454 189.2
[M+NH4]+ 380.038553 195.4
[M+K]+ 400.967888 182.6
[M+H-H2O]+ 345.001990 173.5
[M+HCOO]- 407.002931 190.6
[M+CH3COO]- 421.018581 191.6
[M+Na-2H]- 382.979396 180.1
[M]+ 362.00418142 185.9
[M]- 362.00527858 185.9
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.