CID 3086829

Brn 5155502

Structural Information

Molecular Formula
C19H18ClN3O3S
SMILES
CC1=CC(=CC(=C1)OCC(=O)NN2C(=O)CSC2=NC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H18ClN3O3S/c1-12-7-13(2)9-16(8-12)26-10-17(24)22-23-18(25)11-27-19(23)21-15-5-3-14(20)4-6-15/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKey
SMMCIJFSQICCOU-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-2-(3,5-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.07574 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08302 193.6
[M+Na]+ 426.06496 205.7
[M+NH4]+ 421.10956 200.5
[M+K]+ 442.03890 198.0
[M-H]- 402.06846 199.1
[M+Na-2H]- 424.05041 200.4
[M]+ 403.07519 197.4
[M]- 403.07629 197.4
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.