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 235.6
[M+Na]+ 597.22612 234.4
[M-H]- 573.22962 248.1
[M+NH4]+ 592.27072 232.0
[M+K]+ 613.20006 226.4
[M+H-H2O]+ 557.23416 219.1
[M+HCOO]- 619.23510 250.9
[M+CH3COO]- 633.25075 238.4
[M+Na-2H]- 595.21157 237.3
[M]+ 574.23635 230.0
[M]- 574.23745 230.0
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.