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 215.3
[M+Na]+ 581.00762 220.7
[M-H]- 557.01112 220.9
[M+NH4]+ 576.05222 217.5
[M+K]+ 596.98156 213.6
[M+H-H2O]+ 541.01566 204.7
[M+HCOO]- 603.01660 214.2
[M+CH3COO]- 617.03225 220.0
[M+Na-2H]- 578.99307 213.7
[M]+ 558.01785 218.7
[M]- 558.01895 218.7
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.