CID 475878

Schembl8561599

Structural Information

Molecular Formula
C20H22N2OS
SMILES
CCC1=C(N(C(=N1)C)COCC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H22N2OS/c1-3-19-20(24-18-12-8-5-9-13-18)22(16(2)21-19)15-23-14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
InChIKey
CVHKGCHNDSSNNX-UHFFFAOYSA-N
Compound name
4-ethyl-2-methyl-1-(phenylmethoxymethyl)-5-phenylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 180.7
[M+Na]+ 361.13452 189.5
[M-H]- 337.13802 188.3
[M+NH4]+ 356.17912 194.3
[M+K]+ 377.10846 183.1
[M+H-H2O]+ 321.14256 171.3
[M+HCOO]- 383.14350 198.1
[M+CH3COO]- 397.15915 191.6
[M+Na-2H]- 359.11997 180.1
[M]+ 338.14475 186.0
[M]- 338.14585 186.0
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