CID 118667

34375-50-3

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC1=CC(=CC=C1)N=C2N(C(=O)CS2)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2OS/c1-13-3-2-4-16(11-13)20-18-21(17(22)12-23-18)10-9-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3
InChIKey
WPUUBODUBPZOHJ-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-2-(3-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 181.3
[M+Na]+ 367.06422 190.5
[M-H]- 343.06772 191.3
[M+NH4]+ 362.10882 197.2
[M+K]+ 383.03816 183.3
[M+H-H2O]+ 327.07226 173.2
[M+HCOO]- 389.07320 195.9
[M+CH3COO]- 403.08885 192.7
[M+Na-2H]- 365.04967 179.6
[M]+ 344.07445 184.8
[M]- 344.07555 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.