CID 3650265

N,n'-bis(4-bromophenyl)pyridine-2,6-dicarboxamide

Structural Information

Molecular Formula
C19H13Br2N3O2
SMILES
C1=CC(=NC(=C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C19H13Br2N3O2/c20-12-4-8-14(9-5-12)22-18(25)16-2-1-3-17(24-16)19(26)23-15-10-6-13(21)7-11-15/h1-11H,(H,22,25)(H,23,26)
InChIKey
CISWTBHUNHVEQU-UHFFFAOYSA-N
Compound name
2-N,6-N-bis(4-bromophenyl)pyridine-2,6-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.93744 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.94472 180.6
[M+Na]+ 495.92666 187.4
[M-H]- 471.93016 190.1
[M+NH4]+ 490.97126 191.4
[M+K]+ 511.90060 171.5
[M+H-H2O]+ 455.93470 185.0
[M+HCOO]- 517.93564 195.6
[M+CH3COO]- 531.95129 230.4
[M+Na-2H]- 493.91211 185.1
[M]+ 472.93689 212.9
[M]- 472.93799 212.9
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.