CID 460730

1-[(4-phenylphenyl)-(4-phenyl-1h-pyrrol-3-yl)methyl]imidazole

Structural Information

Molecular Formula
C26H21N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CNC=C3C4=CC=CC=C4)N5C=CN=C5
InChI
InChI=1S/C26H21N3/c1-3-7-20(8-4-1)21-11-13-23(14-12-21)26(29-16-15-27-19-29)25-18-28-17-24(25)22-9-5-2-6-10-22/h1-19,26,28H
InChIKey
DAKYUNPKRFHVOB-UHFFFAOYSA-N
Compound name
1-[(4-phenylphenyl)-(4-phenyl-1H-pyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.17355 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18083 188.6
[M+Na]+ 398.16277 195.3
[M-H]- 374.16627 199.6
[M+NH4]+ 393.20737 197.7
[M+K]+ 414.13671 186.4
[M+H-H2O]+ 358.17081 176.5
[M+HCOO]- 420.17175 208.7
[M+CH3COO]- 434.18740 197.8
[M+Na-2H]- 396.14822 189.0
[M]+ 375.17300 186.6
[M]- 375.17410 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.