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]+ 345.082276 181.3
[M+Na]+ 367.064218 190.5
[M-H]- 343.067724 191.3
[M+NH4]+ 362.108823 197.2
[M+K]+ 383.038158 183.3
[M+H-H2O]+ 327.072260 173.2
[M+HCOO]- 389.073201 195.9
[M+CH3COO]- 403.088851 192.7
[M+Na-2H]- 365.049666 179.6
[M]+ 344.07445142 184.8
[M]- 344.07554858 184.8
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.