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]+ 391.097456 189.7
[M+Na]+ 413.079398 197.1
[M-H]- 389.082904 195.3
[M+NH4]+ 408.124003 200.9
[M+K]+ 429.053338 190.0
[M+H-H2O]+ 373.087440 179.2
[M+HCOO]- 435.088381 200.8
[M+CH3COO]- 449.104031 198.9
[M+Na-2H]- 411.064846 190.1
[M]+ 390.08963142 196.1
[M]- 390.09072858 196.1
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.