CID 215490

Brn 1150312

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)CS2)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2OS/c1-13-2-8-16(9-3-13)20-18-21(17(22)12-23-18)11-10-14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3
InChIKey
WNXCUGZADNELDK-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.075 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08228 180.1
[M+Na]+ 367.06422 194.8
[M+NH4]+ 362.10882 189.3
[M+K]+ 383.03816 184.8
[M-H]- 343.06772 186.9
[M+Na-2H]- 365.04967 188.8
[M]+ 344.07445 185.0
[M]- 344.07555 185.0
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.