CID 3012065

1-(benzyloxymethyl)-5-(cyclohexylmethyl)-4-isopropyl-2-methylsulfanyl-imidazole

Structural Information

Molecular Formula
C22H32N2OS
SMILES
CC(C)C1=C(N(C(=N1)SC)COCC2=CC=CC=C2)CC3CCCCC3
InChI
InChI=1S/C22H32N2OS/c1-17(2)21-20(14-18-10-6-4-7-11-18)24(22(23-21)26-3)16-25-15-19-12-8-5-9-13-19/h5,8-9,12-13,17-18H,4,6-7,10-11,14-16H2,1-3H3
InChIKey
OYZNAOCIARZSOG-UHFFFAOYSA-N
Compound name
5-(cyclohexylmethyl)-2-methylsulfanyl-1-(phenylmethoxymethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.22354 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23082 192.5
[M+Na]+ 395.21276 196.8
[M-H]- 371.21626 198.5
[M+NH4]+ 390.25736 204.3
[M+K]+ 411.18670 191.3
[M+H-H2O]+ 355.22080 182.8
[M+HCOO]- 417.22174 203.9
[M+CH3COO]- 431.23739 217.5
[M+Na-2H]- 393.19821 187.1
[M]+ 372.22299 193.7
[M]- 372.22409 193.7
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.