CID 24845170

91306-99-9

Structural Information

Molecular Formula
C28H21N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(N3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H21N/c1-4-10-22(11-5-1)23-16-18-25(19-17-23)28-21-20-27(24-12-6-2-7-13-24)29(28)26-14-8-3-9-15-26/h1-21H
InChIKey
JEVRVHLTHNBILJ-UHFFFAOYSA-N
Compound name
1,2-diphenyl-5-(4-phenylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1674 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17468 192.8
[M+Na]+ 394.15662 199.7
[M-H]- 370.16012 206.6
[M+NH4]+ 389.20122 203.7
[M+K]+ 410.13056 190.7
[M+H-H2O]+ 354.16466 180.7
[M+HCOO]- 416.16560 214.9
[M+CH3COO]- 430.18125 202.7
[M+Na-2H]- 392.14207 194.6
[M]+ 371.16685 190.4
[M]- 371.16795 190.4
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.