CID 457225

Chembl20839

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C18H17ClN2O/c1-22-17-8-4-15(5-9-17)18(21-11-10-20-13-21)12-14-2-6-16(19)7-3-14/h2-11,13,18H,12H2,1H3
InChIKey
VNWQGVYWBGBMTJ-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.10294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 172.4
[M+Na]+ 335.09216 180.6
[M-H]- 311.09566 179.2
[M+NH4]+ 330.13676 186.4
[M+K]+ 351.06610 174.3
[M+H-H2O]+ 295.10020 162.5
[M+HCOO]- 357.10114 189.3
[M+CH3COO]- 371.11679 183.5
[M+Na-2H]- 333.07761 174.7
[M]+ 312.10239 175.6
[M]- 312.10349 175.6
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.