CID 3012064

1h-imidazole, 5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-(1-methylethyl)-2-(methylthio)-

Structural Information

Molecular Formula
C17H30N2OS
SMILES
CCOCN1C(=C(N=C1SC)C(C)C)CC2CCCCC2
InChI
InChI=1S/C17H30N2OS/c1-5-20-12-19-15(11-14-9-7-6-8-10-14)16(13(2)3)18-17(19)21-4/h13-14H,5-12H2,1-4H3
InChIKey
BCUUWUFUGYHJBS-UHFFFAOYSA-N
Compound name
5-(cyclohexylmethyl)-1-(ethoxymethyl)-2-methylsulfanyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.2079 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21518 177.0
[M+Na]+ 333.19712 182.1
[M-H]- 309.20062 180.2
[M+NH4]+ 328.24172 191.9
[M+K]+ 349.17106 178.4
[M+H-H2O]+ 293.20516 168.8
[M+HCOO]- 355.20610 188.4
[M+CH3COO]- 369.22175 207.1
[M+Na-2H]- 331.18257 171.7
[M]+ 310.20735 179.1
[M]- 310.20845 179.1
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.