CID 4356367

3-(4-methylphenyl)-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C13H16N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C(NC2=S)C(C)C
InChI
InChI=1S/C13H16N2OS/c1-8(2)11-12(16)15(13(17)14-11)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,17)
InChIKey
URLRESQYWGFJPO-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 156.5
[M+Na]+ 271.08755 165.5
[M-H]- 247.09105 159.9
[M+NH4]+ 266.13215 173.5
[M+K]+ 287.06149 160.3
[M+H-H2O]+ 231.09559 149.9
[M+HCOO]- 293.09653 169.6
[M+CH3COO]- 307.11218 192.0
[M+Na-2H]- 269.07300 153.1
[M]+ 248.09778 155.9
[M]- 248.09888 155.9
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

No patent data available for this compound.