CID 3012062

5-benzyl-1-(ethoxymethyl)-4-isopropyl-2-methylsulfanyl-imidazole

Structural Information

Molecular Formula
C17H24N2OS
SMILES
CCOCN1C(=C(N=C1SC)C(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C17H24N2OS/c1-5-20-12-19-15(11-14-9-7-6-8-10-14)16(13(2)3)18-17(19)21-4/h6-10,13H,5,11-12H2,1-4H3
InChIKey
RIFULQVYJZBEAE-UHFFFAOYSA-N
Compound name
5-benzyl-1-(ethoxymethyl)-2-methylsulfanyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.16095 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16823 172.8
[M+Na]+ 327.15017 181.1
[M-H]- 303.15367 177.3
[M+NH4]+ 322.19477 188.3
[M+K]+ 343.12411 176.7
[M+H-H2O]+ 287.15821 164.6
[M+HCOO]- 349.15915 188.6
[M+CH3COO]- 363.17480 206.0
[M+Na-2H]- 325.13562 170.4
[M]+ 304.16040 179.2
[M]- 304.16150 179.2
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.