CID 475881

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

Structural Information

Molecular Formula
C20H22N2OS
SMILES
CCCC1=C(N(C=N1)COCC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H22N2OS/c1-2-9-19-20(24-18-12-7-4-8-13-18)22(15-21-19)16-23-14-17-10-5-3-6-11-17/h3-8,10-13,15H,2,9,14,16H2,1H3
InChIKey
INDCIWVKQBTLQA-UHFFFAOYSA-N
Compound name
1-(phenylmethoxymethyl)-5-phenylsulfanyl-4-propylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1453 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 180.4
[M+Na]+ 361.13452 188.3
[M-H]- 337.13802 187.5
[M+NH4]+ 356.17912 193.7
[M+K]+ 377.10846 182.0
[M+H-H2O]+ 321.14256 170.7
[M+HCOO]- 383.14350 197.8
[M+CH3COO]- 397.15915 191.0
[M+Na-2H]- 359.11997 180.5
[M]+ 338.14475 185.2
[M]- 338.14585 185.2
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.