CID 3002857

(5r)-3-butyl-5-benzyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C14H18N2OS
SMILES
CCCCN1C(=O)[C@H](NC1=S)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2OS/c1-2-3-9-16-13(17)12(15-14(16)18)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKey
MKPVDRUBTPUYQS-GFCCVEGCSA-N
Compound name
(5R)-5-benzyl-3-butyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11398 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 161.1
[M+Na]+ 285.10320 169.1
[M-H]- 261.10670 163.9
[M+NH4]+ 280.14780 177.3
[M+K]+ 301.07714 163.3
[M+H-H2O]+ 245.11124 153.8
[M+HCOO]- 307.11218 175.0
[M+CH3COO]- 321.12783 192.9
[M+Na-2H]- 283.08865 158.9
[M]+ 262.11343 161.0
[M]- 262.11453 161.0
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.