CID 3054920

1-(2-(2,4-dichlorophenyl)-2-(3-phenoxypropoxy)ethyl)-1h-imidazole monomethanesulfonate

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
C1=CC=C(C=C1)OCCCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2O2/c21-16-7-8-18(19(22)13-16)20(14-24-10-9-23-15-24)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,13,15,20H,4,11-12,14H2
InChIKey
IJNCLOMSIGWESW-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(3-phenoxypropoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.09018 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09746 190.9
[M+Na]+ 413.07940 206.8
[M+NH4]+ 408.12400 198.7
[M+K]+ 429.05334 198.5
[M-H]- 389.08290 195.7
[M+Na-2H]- 411.06485 200.3
[M]+ 390.08963 195.2
[M]- 390.09073 195.2
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.