CID 1822600

1h-imidazole, 4-(((2-(diphenylmethoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate (2:1)

Structural Information

Molecular Formula
C20H22N2OS
SMILES
CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2OS/c1-16-19(22-15-21-16)14-24-13-12-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,15,20H,12-14H2,1H3,(H,21,22)
InChIKey
QBXOTSRUZXMIMX-UHFFFAOYSA-N
Compound name
4-(2-benzhydryloxyethylsulfanylmethyl)-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1453 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 180.1
[M+Na]+ 361.13452 193.9
[M+NH4]+ 356.17912 188.3
[M+K]+ 377.10846 184.9
[M-H]- 337.13802 185.3
[M+Na-2H]- 359.11997 189.3
[M]+ 338.14475 184.1
[M]- 338.14585 184.1
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.