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 179.9
[M+Na]+ 361.13452 186.1
[M-H]- 337.13802 185.4
[M+NH4]+ 356.17912 192.1
[M+K]+ 377.10846 179.5
[M+H-H2O]+ 321.14256 170.6
[M+HCOO]- 383.14350 194.9
[M+CH3COO]- 397.15915 189.4
[M+Na-2H]- 359.11997 179.5
[M]+ 338.14475 182.0
[M]- 338.14585 182.0
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

No patent data available for this compound.