CID 6481279

Chembl280886

Structural Information

Molecular Formula
C20H16ClN3
SMILES
C1=CC=C(C=C1)C(C2=CN(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H16ClN3/c21-18-6-8-19(9-7-18)23-12-10-17(14-23)20(24-13-11-22-15-24)16-4-2-1-3-5-16/h1-15,20H
InChIKey
BTFMOPLTQVBOPA-UHFFFAOYSA-N
Compound name
1-[[1-(4-chlorophenyl)pyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

333.10327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11055 177.2
[M+Na]+ 356.09249 186.7
[M-H]- 332.09599 186.5
[M+NH4]+ 351.13709 190.4
[M+K]+ 372.06643 178.9
[M+H-H2O]+ 316.10053 165.9
[M+HCOO]- 378.10147 195.1
[M+CH3COO]- 392.11712 188.3
[M+Na-2H]- 354.07794 178.3
[M]+ 333.10272 179.9
[M]- 333.10382 179.9
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.