CID 6481274

1-[phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole

Structural Information

Molecular Formula
C20H17N3
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)N3C=CC=C3)N4C=CN=C4
InChI
InChI=1S/C20H17N3/c1-2-6-17(7-3-1)20(23-15-12-21-16-23)18-8-10-19(11-9-18)22-13-4-5-14-22/h1-16,20H
InChIKey
HBPCHPGVRZSBLY-UHFFFAOYSA-N
Compound name
1-[phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.14224 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.149516 168.4
[M+Na]+ 322.131458 176.4
[M-H]- 298.134964 177.9
[M+NH4]+ 317.176063 181.9
[M+K]+ 338.105398 170.1
[M+H-H2O]+ 282.139500 157.3
[M+HCOO]- 344.140441 191.2
[M+CH3COO]- 358.156091 179.9
[M+Na-2H]- 320.116906 171.1
[M]+ 299.14169142 168.7
[M]- 299.14278858 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.