CID 475879

1-benzyloxymethyl-4-ethyl-5-phenylthio-1h-imidazole

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CCC1=C(N(C=N1)COCC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H20N2OS/c1-2-18-19(23-17-11-7-4-8-12-17)21(14-20-18)15-22-13-16-9-5-3-6-10-16/h3-12,14H,2,13,15H2,1H3
InChIKey
HGBBHWFZLDNGHI-UHFFFAOYSA-N
Compound name
4-ethyl-1-(phenylmethoxymethyl)-5-phenylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

324.12964 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 176.1
[M+Na]+ 347.11886 184.5
[M-H]- 323.12236 183.4
[M+NH4]+ 342.16346 190.0
[M+K]+ 363.09280 178.4
[M+H-H2O]+ 307.12690 166.6
[M+HCOO]- 369.12784 193.9
[M+CH3COO]- 383.14349 187.1
[M+Na-2H]- 345.10431 176.7
[M]+ 324.12909 180.6
[M]- 324.13019 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe