CID 58579

101626-73-7

Structural Information

Molecular Formula
C13H18N2S
SMILES
CC(C)C1=CC=CC=C1SCC2=NCCN2
InChI
InChI=1S/C13H18N2S/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKey
LBXZLNMPNLYZRU-UHFFFAOYSA-N
Compound name
2-[(2-propan-2-ylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 153.5
[M+Na]+ 257.10828 160.5
[M-H]- 233.11178 156.2
[M+NH4]+ 252.15288 170.5
[M+K]+ 273.08222 155.9
[M+H-H2O]+ 217.11632 146.0
[M+HCOO]- 279.11726 167.6
[M+CH3COO]- 293.13291 164.7
[M+Na-2H]- 255.09373 153.0
[M]+ 234.11851 153.1
[M]- 234.11961 153.1
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.