CID 24956672

3-(2-methylphenyl)-2-((z)-propylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C13H16N2OS
SMILES
CCCN=C1N(C(=O)CS1)C2=CC=CC=C2C
InChI
InChI=1S/C13H16N2OS/c1-3-8-14-13-15(12(16)9-17-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
InChIKey
OYBHACSOBWDLDC-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

248.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 157.8
[M+Na]+ 271.08755 169.3
[M+NH4]+ 266.13215 166.4
[M+K]+ 287.06149 161.6
[M-H]- 247.09105 161.9
[M+Na-2H]- 269.07300 163.7
[M]+ 248.09778 160.9
[M]- 248.09888 160.9
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

patents stripe