CID 3006872

Chembl3304930

Structural Information

Molecular Formula
C19H18Cl2N2O
SMILES
C1=CC=C(C=C1)OCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O/c20-16-6-7-18(19(21)12-16)15(13-23-10-9-22-14-23)8-11-24-17-4-2-1-3-5-17/h1-7,9-10,12,14-15H,8,11,13H2
InChIKey
TWMDQMMTLSPOEZ-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-4-phenoxybutyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.07962 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08690 182.9
[M+Na]+ 383.06884 190.9
[M-H]- 359.07234 188.5
[M+NH4]+ 378.11344 195.3
[M+K]+ 399.04278 183.3
[M+H-H2O]+ 343.07688 172.7
[M+HCOO]- 405.07782 194.1
[M+CH3COO]- 419.09347 192.6
[M+Na-2H]- 381.05429 183.7
[M]+ 360.07907 187.6
[M]- 360.08017 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.