CID 5279316

2-[5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-ethyl-imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C17H29N3O2S
SMILES
CCC1=C(N(C(=N1)SCC(=O)N)COCC)CC2CCCCC2
InChI
InChI=1S/C17H29N3O2S/c1-3-14-15(10-13-8-6-5-7-9-13)20(12-22-4-2)17(19-14)23-11-16(18)21/h13H,3-12H2,1-2H3,(H2,18,21)
InChIKey
CALQUMWQNBWCFN-UHFFFAOYSA-N
Compound name
2-[5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-ethylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.19806 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20534 182.8
[M+Na]+ 362.18728 187.0
[M-H]- 338.19078 185.3
[M+NH4]+ 357.23188 195.6
[M+K]+ 378.16122 182.7
[M+H-H2O]+ 322.19532 174.2
[M+HCOO]- 384.19626 195.0
[M+CH3COO]- 398.21191 212.7
[M+Na-2H]- 360.17273 177.6
[M]+ 339.19751 183.9
[M]- 339.19861 183.9
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.