CID 76753

2,3,4,5-tetraphenylpyrrole

Structural Information

Molecular Formula
C28H21N
SMILES
C1=CC=C(C=C1)C2=C(NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,29H
InChIKey
IEZVMRGFNUNABR-UHFFFAOYSA-N
Compound name
2,3,4,5-tetraphenyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
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 191.9
[M+Na]+ 394.15662 198.4
[M-H]- 370.16012 204.5
[M+NH4]+ 389.20122 202.2
[M+K]+ 410.13056 188.6
[M+H-H2O]+ 354.16466 180.3
[M+HCOO]- 416.16560 212.7
[M+CH3COO]- 430.18125 201.3
[M+Na-2H]- 392.14207 193.5
[M]+ 371.16685 188.0
[M]- 371.16795 188.0
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

patents stripe