CID 6481275

1h-imidazole, 1-[phenyl(1-phenyl-1h-pyrrol-3-yl)methyl]-

Structural Information

Molecular Formula
C20H17N3
SMILES
C1=CC=C(C=C1)C(C2=CN(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C20H17N3/c1-3-7-17(8-4-1)20(23-14-12-21-16-23)18-11-13-22(15-18)19-9-5-2-6-10-19/h1-16,20H
InChIKey
YXTSXRAOMZGEAR-UHFFFAOYSA-N
Compound name
1-[phenyl-(1-phenylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.14224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 168.4
[M+Na]+ 322.13146 176.4
[M-H]- 298.13496 177.9
[M+NH4]+ 317.17606 181.9
[M+K]+ 338.10540 170.1
[M+H-H2O]+ 282.13950 157.3
[M+HCOO]- 344.14044 191.2
[M+CH3COO]- 358.15609 179.9
[M+Na-2H]- 320.11691 171.1
[M]+ 299.14169 168.7
[M]- 299.14279 168.7
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.