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 207.2
[M+Na]+ 481.14465 210.0
[M-H]- 457.14815 213.5
[M+NH4]+ 476.18925 210.2
[M+K]+ 497.11859 203.2
[M+H-H2O]+ 441.15269 192.2
[M+HCOO]- 503.15363 223.5
[M+CH3COO]- 517.16928 212.9
[M+Na-2H]- 479.13010 208.5
[M]+ 458.15488 202.2
[M]- 458.15598 202.2
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.