CID 3059939

1,2-bis(4-fluorobenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C26H20F2N4O2
SMILES
C1=CC(=CC=C1C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C26H20F2N4O2/c27-21-5-1-19(2-6-21)25(33)31-23(17-9-13-29-14-10-17)24(18-11-15-30-16-12-18)32-26(34)20-3-7-22(28)8-4-20/h1-16,23-24H,(H,31,33)(H,32,34)
InChIKey
RWILBXUOLCEWPI-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.15543 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.16271 205.7
[M+Na]+ 481.14465 217.7
[M+NH4]+ 476.18925 209.8
[M+K]+ 497.11859 210.7
[M-H]- 457.14815 210.2
[M+Na-2H]- 479.13010 215.9
[M]+ 458.15488 208.3
[M]- 458.15598 208.3
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.