CID 3075566

1-butyl-5-phenyl-2-imidazolidinethione

Structural Information

Molecular Formula
C13H18N2S
SMILES
CCCCN1C(CNC1=S)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2S/c1-2-3-9-15-12(10-14-13(15)16)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,16)
InChIKey
MWPTUNSIFAINSQ-UHFFFAOYSA-N
Compound name
1-butyl-5-phenylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 154.1
[M+Na]+ 257.10828 161.6
[M-H]- 233.11178 156.6
[M+NH4]+ 252.15288 171.3
[M+K]+ 273.08222 156.1
[M+H-H2O]+ 217.11632 146.7
[M+HCOO]- 279.11726 167.9
[M+CH3COO]- 293.13291 187.5
[M+Na-2H]- 255.09373 152.9
[M]+ 234.11851 152.5
[M]- 234.11961 152.5
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.