CID 5279304

4-[(3,5-dimethylphenyl)methyl]-5-isopropyl-1,3-dihydroimidazole-2-thione

Structural Information

Molecular Formula
C15H20N2S
SMILES
CC1=CC(=CC(=C1)CC2=C(NC(=S)N2)C(C)C)C
InChI
InChI=1S/C15H20N2S/c1-9(2)14-13(16-15(18)17-14)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18)
InChIKey
JCISVXJNCCQILM-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1347 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 160.3
[M+Na]+ 283.12392 169.9
[M-H]- 259.12742 162.8
[M+NH4]+ 278.16852 176.5
[M+K]+ 299.09786 163.0
[M+H-H2O]+ 243.13196 153.7
[M+HCOO]- 305.13290 173.7
[M+CH3COO]- 319.14855 193.6
[M+Na-2H]- 281.10937 157.2
[M]+ 260.13415 160.6
[M]- 260.13525 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

literature stripe

Patent stripe

No patent data available for this compound.