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 171.9
[M+Na]+ 335.11547 179.6
[M-H]- 311.11897 180.6
[M+NH4]+ 330.16007 185.1
[M+K]+ 351.08941 171.8
[M+H-H2O]+ 295.12351 162.5
[M+HCOO]- 357.12445 193.3
[M+CH3COO]- 371.14010 182.7
[M+Na-2H]- 333.10092 172.8
[M]+ 312.12570 169.6
[M]- 312.12680 169.6
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.