CID 118666

Brn 1146186

Structural Information

Molecular Formula
C17H15ClN2OS
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2OS/c18-14-8-6-13(7-9-14)10-11-20-16(21)12-22-17(20)19-15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKey
JUDQJVJDDOLPNG-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.05936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06664 176.8
[M+Na]+ 353.04858 185.6
[M-H]- 329.05208 186.6
[M+NH4]+ 348.09318 193.0
[M+K]+ 369.02252 178.6
[M+H-H2O]+ 313.05662 168.6
[M+HCOO]- 375.05756 191.7
[M+CH3COO]- 389.07321 188.2
[M+Na-2H]- 351.03403 176.3
[M]+ 330.05881 179.6
[M]- 330.05991 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.