CID 3059938

1,2-bis(3,5-dichlorobenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C26H18Cl4N4O2
SMILES
C1=CN=CC=C1C(C(C2=CC=NC=C2)NC(=O)C3=CC(=CC(=C3)Cl)Cl)NC(=O)C4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C26H18Cl4N4O2/c27-19-9-17(10-20(28)13-19)25(35)33-23(15-1-5-31-6-2-15)24(16-3-7-32-8-4-16)34-26(36)18-11-21(29)14-22(30)12-18/h1-14,23-24H,(H,33,35)(H,34,36)
InChIKey
INMIDMRHJZMDHB-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[2-[(3,5-dichlorobenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.0184 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.02568 228.3
[M+Na]+ 581.00762 244.5
[M+NH4]+ 576.05222 234.2
[M+K]+ 596.98156 234.2
[M-H]- 557.01112 234.7
[M+Na-2H]- 578.99307 237.7
[M]+ 558.01785 233.6
[M]- 558.01895 233.6
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.