CID 1556527

303093-69-8

Structural Information

Molecular Formula
C24H18Cl2N2OS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC=C(S3)CC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C24H18Cl2N2OS/c25-19-11-12-21(26)18(13-19)14-20-15-27-24(30-20)28-23(29)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15,22H,14H2,(H,27,28,29)
InChIKey
ROQBYSQALVPACG-UHFFFAOYSA-N
Compound name
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

452.0517 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.05898 206.5
[M+Na]+ 475.04092 223.5
[M+NH4]+ 470.08552 215.6
[M+K]+ 491.01486 212.2
[M-H]- 451.04442 215.3
[M+Na-2H]- 473.02637 218.1
[M]+ 452.05115 212.7
[M]- 452.05225 212.7
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

patents stripe