CID 5279320

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

Structural Information

Molecular Formula
C18H31N3O2S
SMILES
CCOCN1C(=C(N=C1SCC(=O)N)C(C)C)CC2CCCCC2
InChI
InChI=1S/C18H31N3O2S/c1-4-23-12-21-15(10-14-8-6-5-7-9-14)17(13(2)3)20-18(21)24-11-16(19)22/h13-14H,4-12H2,1-3H3,(H2,19,22)
InChIKey
HVLROWWKCHOPPH-UHFFFAOYSA-N
Compound name
2-[5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-propan-2-ylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.21368 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22096 187.4
[M+Na]+ 376.20290 190.8
[M-H]- 352.20640 189.8
[M+NH4]+ 371.24750 199.6
[M+K]+ 392.17684 186.9
[M+H-H2O]+ 336.21094 178.8
[M+HCOO]- 398.21188 198.2
[M+CH3COO]- 412.22753 216.6
[M+Na-2H]- 374.18835 180.7
[M]+ 353.21313 188.3
[M]- 353.21423 188.3
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.