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]+ 339.152576 180.4
[M+Na]+ 361.134518 188.3
[M-H]- 337.138024 187.5
[M+NH4]+ 356.179123 193.7
[M+K]+ 377.108458 182.0
[M+H-H2O]+ 321.142560 170.7
[M+HCOO]- 383.143501 197.8
[M+CH3COO]- 397.159151 191.0
[M+Na-2H]- 359.119966 180.5
[M]+ 338.14475142 185.2
[M]- 338.14584858 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.