CID 3059940

1,2-bis(4-(trifluoromethyl)benzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C28H20F6N4O2
SMILES
C1=CC(=CC=C1C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C28H20F6N4O2/c29-27(30,31)21-5-1-19(2-6-21)25(39)37-23(17-9-13-35-14-10-17)24(18-11-15-36-16-12-18)38-26(40)20-3-7-22(8-4-20)28(32,33)34/h1-16,23-24H,(H,37,39)(H,38,40)
InChIKey
JSMQGUQQHFYZJV-UHFFFAOYSA-N
Compound name
N-[1,2-dipyridin-4-yl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.14905 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.15633 204.7
[M+Na]+ 581.13827 209.5
[M+NH4]+ 576.18287 204.6
[M+K]+ 597.11221 206.2
[M-H]- 557.14177 201.8
[M+Na-2H]- 579.12372 209.2
[M]+ 558.14850 204.0
[M]- 558.14960 204.0
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.