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 194.9
[M+Na]+ 426.06496 202.9
[M-H]- 402.06846 205.1
[M+NH4]+ 421.10956 207.9
[M+K]+ 442.03890 196.7
[M+H-H2O]+ 386.07300 186.6
[M+HCOO]- 448.07394 209.6
[M+CH3COO]- 462.08959 224.9
[M+Na-2H]- 424.05041 192.4
[M]+ 403.07519 200.0
[M]- 403.07629 200.0
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.