CID 3059937

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

Structural Information

Molecular Formula
C26H20Cl2N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C26H20Cl2N4O2/c27-21-7-3-1-5-19(21)25(33)31-23(17-9-13-29-14-10-17)24(18-11-15-30-16-12-18)32-26(34)20-6-2-4-8-22(20)28/h1-16,23-24H,(H,31,33)(H,32,34)
InChIKey
PPXGAXPTKKNCAS-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[(2-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 210.0
[M+Na]+ 513.08556 213.9
[M-H]- 489.08906 218.1
[M+NH4]+ 508.13016 213.6
[M+K]+ 529.05950 206.2
[M+H-H2O]+ 473.09360 197.9
[M+HCOO]- 535.09454 219.2
[M+CH3COO]- 549.11019 216.1
[M+Na-2H]- 511.07101 211.6
[M]+ 490.09579 211.6
[M]- 490.09689 211.6
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.