CID 3075572

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

Structural Information

Molecular Formula
C13H17ClN2S
SMILES
CC(C)CN1C(CNC1=S)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H17ClN2S/c1-9(2)8-16-12(7-15-13(16)17)10-5-3-4-6-11(10)14/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)
InChIKey
ZTYXUQPXGXIVIT-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1-(2-methylpropyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0801 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08738 160.7
[M+Na]+ 291.06932 169.2
[M-H]- 267.07282 163.5
[M+NH4]+ 286.11392 177.5
[M+K]+ 307.04326 162.6
[M+H-H2O]+ 251.07736 154.2
[M+HCOO]- 313.07830 168.7
[M+CH3COO]- 327.09395 193.2
[M+Na-2H]- 289.05477 157.3
[M]+ 268.07955 160.6
[M]- 268.08065 160.6
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.