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

10
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 180.7
[M+Na]+ 361.134518 189.5
[M-H]- 337.138024 188.3
[M+NH4]+ 356.179123 194.3
[M+K]+ 377.108458 183.1
[M+H-H2O]+ 321.142560 171.3
[M+HCOO]- 383.143501 198.1
[M+CH3COO]- 397.159151 191.6
[M+Na-2H]- 359.119966 180.1
[M]+ 338.14475142 186.0
[M]- 338.14584858 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