CID 135488861

Hms1662i05

Structural Information

Molecular Formula
C15H18ClN3O3S
SMILES
COCCCN=C1NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18ClN3O3S/c1-22-8-2-7-17-15-19-14(21)12(23-15)9-13(20)18-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,18,20)(H,17,19,21)
InChIKey
COCXQCWKGVMLMS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

355.07574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.083016 181.5
[M+Na]+ 378.064958 187.6
[M-H]- 354.068464 186.6
[M+NH4]+ 373.109563 195.6
[M+K]+ 394.038898 181.8
[M+H-H2O]+ 338.073000 174.2
[M+HCOO]- 400.073941 194.6
[M+CH3COO]- 414.089591 212.3
[M+Na-2H]- 376.050406 179.6
[M]+ 355.07519142 184.8
[M]- 355.07628858 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

literature stripe

Patent stripe

No patent data available for this compound.