CID 3059936

1,2-bis(3-chlorobenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C26H20Cl2N4O2
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C26H20Cl2N4O2/c27-21-5-1-3-19(15-21)25(33)31-23(17-7-11-29-12-8-17)24(18-9-13-30-14-10-18)32-26(34)20-4-2-6-22(28)16-20/h1-16,23-24H,(H,31,33)(H,32,34)
InChIKey
DKRIDMRWUWNXKU-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-[(3-chlorobenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09634 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10362 215.8
[M+Na]+ 513.08556 231.7
[M+NH4]+ 508.13016 222.1
[M+K]+ 529.05950 222.3
[M-H]- 489.08906 223.5
[M+Na-2H]- 511.07101 227.5
[M]+ 490.09579 220.8
[M]- 490.09689 220.8
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.