CID 3059946

77502-39-7

Structural Information

Molecular Formula
C38H30N4O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(C3=CC=NC=C3)C(C4=CC=NC=C4)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H30N4O2/c43-37(33-15-11-29(12-16-33)27-7-3-1-4-8-27)41-35(31-19-23-39-24-20-31)36(32-21-25-40-26-22-32)42-38(44)34-17-13-30(14-18-34)28-9-5-2-6-10-28/h1-26,35-36H,(H,41,43)(H,42,44)
InChIKey
ZEVAFYIAQBHUJH-UHFFFAOYSA-N
Compound name
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2369 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.24418 243.2
[M+Na]+ 597.22612 260.4
[M+NH4]+ 592.27072 249.0
[M+K]+ 613.20006 249.4
[M-H]- 573.22962 255.9
[M+Na-2H]- 595.21157 259.1
[M]+ 574.23635 249.4
[M]- 574.23745 249.4
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.