CID 146494

Copper chelate

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=NC(=C1)C(=O)NC(=O)C2=CC=CC=N2
InChI
InChI=1S/C12H9N3O2/c16-11(9-5-1-3-7-13-9)15-12(17)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
InChIKey
IZWWLMMXODPJNV-UHFFFAOYSA-N
Compound name
N-(pyridine-2-carbonyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

50
Patents

227.06947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 148.5
[M+Na]+ 250.058688 155.1
[M-H]- 226.062194 152.5
[M+NH4]+ 245.103293 162.7
[M+K]+ 266.032628 152.1
[M+H-H2O]+ 210.066730 139.3
[M+HCOO]- 272.067671 170.8
[M+CH3COO]- 286.083321 189.1
[M+Na-2H]- 248.044136 156.0
[M]+ 227.06892142 147.2
[M]- 227.07001858 147.2
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

patents stripe