CID 5279301

4-benzyl-3-ethyl-5-isopropyl-1h-imidazole-2-thione

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCN1C(=C(NC1=S)C(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C15H20N2S/c1-4-17-13(10-12-8-6-5-7-9-12)14(11(2)3)16-15(17)18/h5-9,11H,4,10H2,1-3H3,(H,16,18)
InChIKey
KKZRYZNJKCKJTH-UHFFFAOYSA-N
Compound name
4-benzyl-3-ethyl-5-propan-2-yl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 160.2
[M+Na]+ 283.12392 169.5
[M-H]- 259.12742 163.8
[M+NH4]+ 278.16852 176.9
[M+K]+ 299.09786 163.4
[M+H-H2O]+ 243.13196 153.0
[M+HCOO]- 305.13290 175.2
[M+CH3COO]- 319.14855 194.9
[M+Na-2H]- 281.10937 158.3
[M]+ 260.13415 162.0
[M]- 260.13525 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.