CID 3075566

186424-04-4

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]+ 235.126336 154.1
[M+Na]+ 257.108278 161.6
[M-H]- 233.111784 156.6
[M+NH4]+ 252.152883 171.3
[M+K]+ 273.082218 156.1
[M+H-H2O]+ 217.116320 146.7
[M+HCOO]- 279.117261 167.9
[M+CH3COO]- 293.132911 187.5
[M+Na-2H]- 255.093726 152.9
[M]+ 234.11851142 152.5
[M]- 234.11960858 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.