CID 460731

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

Structural Information

Molecular Formula
C27H23N3
SMILES
CN1C=C(C(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4C=CN=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H23N3/c1-29-18-25(23-10-6-3-7-11-23)26(19-29)27(30-17-16-28-20-30)24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-20,27H,1H3
InChIKey
XPNRHDZYCWGREN-UHFFFAOYSA-N
Compound name
1-[(1-methyl-4-phenylpyrrol-3-yl)-(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.1892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19648 194.5
[M+Na]+ 412.17842 202.1
[M-H]- 388.18192 207.0
[M+NH4]+ 407.22302 204.0
[M+K]+ 428.15236 193.8
[M+H-H2O]+ 372.18646 182.0
[M+HCOO]- 434.18740 215.7
[M+CH3COO]- 448.20305 204.2
[M+Na-2H]- 410.16387 193.8
[M]+ 389.18865 194.9
[M]- 389.18975 194.9
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.