CID 3059934

1,2-bis(3-methylbenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C28H26N4O2
SMILES
CC1=CC(=CC=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=CC(=C4)C
InChI
InChI=1S/C28H26N4O2/c1-19-5-3-7-23(17-19)27(33)31-25(21-9-13-29-14-10-21)26(22-11-15-30-16-12-22)32-28(34)24-8-4-6-20(2)18-24/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)
InChIKey
YVVVRTBLGOMQAW-UHFFFAOYSA-N
Compound name
3-methyl-N-[2-[(3-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 211.2
[M+Na]+ 473.19479 225.3
[M+NH4]+ 468.23939 216.7
[M+K]+ 489.16873 217.4
[M-H]- 449.19829 219.1
[M+Na-2H]- 471.18024 222.9
[M]+ 450.20502 215.3
[M]- 450.20612 215.3
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.