CID 3075573

1-butyl-5-(2-chlorophenyl)-2-imidazolidinethione

Structural Information

Molecular Formula
C13H17ClN2S
SMILES
CCCCN1C(CNC1=S)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H17ClN2S/c1-2-3-8-16-12(9-15-13(16)17)10-6-4-5-7-11(10)14/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)
InChIKey
BNWOBMFUKDIEMQ-UHFFFAOYSA-N
Compound name
1-butyl-5-(2-chlorophenyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0801 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08738 161.9
[M+Na]+ 291.06932 174.6
[M+NH4]+ 286.11392 170.5
[M+K]+ 307.04326 166.0
[M-H]- 267.07282 164.6
[M+Na-2H]- 289.05477 166.9
[M]+ 268.07955 165.1
[M]- 268.08065 165.1
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.