CID 475880

1-benzyloxymethyl-5-phenylthio-1h-imidazole

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1=CC=C(C=C1)COCN2C=NC=C2SC3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c1-3-7-15(8-4-1)12-20-14-19-13-18-11-17(19)21-16-9-5-2-6-10-16/h1-11,13H,12,14H2
InChIKey
TWIISNFNPWFTLL-UHFFFAOYSA-N
Compound name
1-(phenylmethoxymethyl)-5-phenylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 167.0
[M+Na]+ 319.08755 175.5
[M-H]- 295.09105 174.4
[M+NH4]+ 314.13215 181.8
[M+K]+ 335.06149 169.9
[M+H-H2O]+ 279.09559 157.8
[M+HCOO]- 341.09653 185.5
[M+CH3COO]- 355.11218 178.6
[M+Na-2H]- 317.07300 169.4
[M]+ 296.09778 170.5
[M]- 296.09888 170.5
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

No patent data available for this compound.