CID 6481388

1,1'-dibenzyl-4,4'-dimethyl-[3,3']bipyridinyl-2,5,6,2',5',6'-hexaone

Structural Information

Molecular Formula
C26H20N2O6
SMILES
CC1=C(C(=O)N(C(=O)C1=O)CC2=CC=CC=C2)C3=C(C(=O)C(=O)N(C3=O)CC4=CC=CC=C4)C
InChI
InChI=1S/C26H20N2O6/c1-15-19(23(31)27(25(33)21(15)29)13-17-9-5-3-6-10-17)20-16(2)22(30)26(34)28(24(20)32)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKey
OCSHCRIWTPYSBN-UHFFFAOYSA-N
Compound name
1-benzyl-5-(1-benzyl-4-methyl-2,5,6-trioxopyridin-3-yl)-4-methylpyridine-2,3,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.13214 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13942 209.1
[M+Na]+ 479.12136 218.1
[M-H]- 455.12486 219.6
[M+NH4]+ 474.16596 214.3
[M+K]+ 495.09530 212.1
[M+H-H2O]+ 439.12940 196.4
[M+HCOO]- 501.13034 224.9
[M+CH3COO]- 515.14599 238.1
[M+Na-2H]- 477.10681 204.8
[M]+ 456.13159 210.1
[M]- 456.13269 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.