CID 3059943

1,2-bis(4-nitrobenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C26H20N6O6
SMILES
C1=CC(=CC=C1C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C26H20N6O6/c33-25(19-1-5-21(6-2-19)31(35)36)29-23(17-9-13-27-14-10-17)24(18-11-15-28-16-12-18)30-26(34)20-3-7-22(8-4-20)32(37)38/h1-16,23-24H,(H,29,33)(H,30,34)
InChIKey
BGQOTOTWKNMAES-UHFFFAOYSA-N
Compound name
4-nitro-N-[2-[(4-nitrobenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.1444 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.15168 209.4
[M+Na]+ 535.13362 205.8
[M-H]- 511.13712 217.6
[M+NH4]+ 530.17822 207.3
[M+K]+ 551.10756 194.3
[M+H-H2O]+ 495.14166 203.9
[M+HCOO]- 557.14260 228.3
[M+CH3COO]- 571.15825 233.4
[M+Na-2H]- 533.11907 217.0
[M]+ 512.14385 202.5
[M]- 512.14495 202.5
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.