CID 3302705

Bis(4-phenyl-1h-pyrrol-3-yl)methanone

Structural Information

Molecular Formula
C21H16N2O
SMILES
C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CNC=C3C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O/c24-21(19-13-22-11-17(19)15-7-3-1-4-8-15)20-14-23-12-18(20)16-9-5-2-6-10-16/h1-14,22-23H
InChIKey
XEELUGHJTAFLJN-UHFFFAOYSA-N
Compound name
bis(4-phenyl-1H-pyrrol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12625 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 175.0
[M+Na]+ 335.11547 190.6
[M+NH4]+ 330.16007 183.0
[M+K]+ 351.08941 185.7
[M-H]- 311.11897 181.4
[M+Na-2H]- 333.10092 186.7
[M]+ 312.12570 179.1
[M]- 312.12680 179.1
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.