CID 457010

Chembl335642

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1C2=CC=CC=C2C(O1)(CC3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C19H17ClN2O/c20-17-7-5-15(6-8-17)11-19(13-22-10-9-21-14-22)18-4-2-1-3-16(18)12-23-19/h1-10,14H,11-13H2
InChIKey
QBBKCKCXBCFCPK-UHFFFAOYSA-N
Compound name
1-[[1-[(4-chlorophenyl)methyl]-3H-2-benzofuran-1-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.10294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 176.0
[M+Na]+ 347.09216 185.7
[M-H]- 323.09566 184.7
[M+NH4]+ 342.13676 193.1
[M+K]+ 363.06610 179.8
[M+H-H2O]+ 307.10020 166.8
[M+HCOO]- 369.10114 191.9
[M+CH3COO]- 383.11679 187.6
[M+Na-2H]- 345.07761 178.7
[M]+ 324.10239 179.2
[M]- 324.10349 179.2
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.