CID 3054991

1-(beta-methylthiomethoxy-4-(4'-chlorbenzyl)-phenaethyl)-imidazol-nitrat [german]

Structural Information

Molecular Formula
C20H21ClN2OS
SMILES
CSCOC(CN1C=CN=C1)C2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21ClN2OS/c1-25-15-24-20(13-23-11-10-22-14-23)18-6-2-16(3-7-18)12-17-4-8-19(21)9-5-17/h2-11,14,20H,12-13,15H2,1H3
InChIKey
DXFLTKNAWIUYQU-UHFFFAOYSA-N
Compound name
1-[2-[4-[(4-chlorophenyl)methyl]phenyl]-2-(methylsulfanylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.10632 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11360 186.9
[M+Na]+ 395.09554 195.0
[M-H]- 371.09904 193.9
[M+NH4]+ 390.14014 199.5
[M+K]+ 411.06948 187.8
[M+H-H2O]+ 355.10358 177.6
[M+HCOO]- 417.10452 198.5
[M+CH3COO]- 431.12017 196.8
[M+Na-2H]- 393.08099 185.5
[M]+ 372.10577 193.2
[M]- 372.10687 193.2
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.