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 187.4
[M+Na]+ 395.09554 202.9
[M+NH4]+ 390.14014 196.1
[M+K]+ 411.06948 192.8
[M-H]- 371.09904 193.2
[M+Na-2H]- 393.08099 196.9
[M]+ 372.10577 192.2
[M]- 372.10687 192.2
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.