CID 3012219

Chembl186286

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
C1=CC=C(C=C1)C(CCN2C=CN=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2O/c19-16-6-8-17(9-7-16)22-18(15-4-2-1-3-5-15)10-12-21-13-11-20-14-21/h1-9,11,13-14,18H,10,12H2
InChIKey
URNUGNGZDCKLST-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenoxy)-3-phenylpropyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.10294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 172.2
[M+Na]+ 335.09216 179.5
[M-H]- 311.09566 178.6
[M+NH4]+ 330.13676 185.9
[M+K]+ 351.06610 173.1
[M+H-H2O]+ 295.10020 162.0
[M+HCOO]- 357.10114 189.0
[M+CH3COO]- 371.11679 182.9
[M+Na-2H]- 333.07761 175.2
[M]+ 312.10239 175.0
[M]- 312.10349 175.0
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.