CID 118668

Brn 1157785

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
CC1=C(C=C(C=C1)N=C2N(C(=O)CS2)CCC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H19ClN2OS/c1-13-3-8-17(11-14(13)2)21-19-22(18(23)12-24-19)10-9-15-4-6-16(20)7-5-15/h3-8,11H,9-10,12H2,1-2H3
InChIKey
NPSYMKDNFOTPNM-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09067 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09795 185.7
[M+Na]+ 381.07989 195.3
[M-H]- 357.08339 195.9
[M+NH4]+ 376.12449 201.3
[M+K]+ 397.05383 187.9
[M+H-H2O]+ 341.08793 177.6
[M+HCOO]- 403.08887 199.9
[M+CH3COO]- 417.10452 197.0
[M+Na-2H]- 379.06534 182.9
[M]+ 358.09012 190.0
[M]- 358.09122 190.0
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.