CID 38036570

Chembl5404428

Structural Information

Molecular Formula
C21H19N3O4
SMILES
C1=CC=C(C=C1)CONC(=O)C2=NC(=CC=C2)C(=O)NOCC3=CC=CC=C3
InChI
InChI=1S/C21H19N3O4/c25-20(23-27-14-16-8-3-1-4-9-16)18-12-7-13-19(22-18)21(26)24-28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,25)(H,24,26)
InChIKey
LEOSZFYMGXKNMJ-UHFFFAOYSA-N
Compound name
2-N,6-N-bis(phenylmethoxy)pyridine-2,6-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.13754 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 187.0
[M+Na]+ 400.12676 190.3
[M-H]- 376.13026 194.5
[M+NH4]+ 395.17136 195.3
[M+K]+ 416.10070 186.5
[M+H-H2O]+ 360.13480 175.4
[M+HCOO]- 422.13574 210.0
[M+CH3COO]- 436.15139 220.0
[M+Na-2H]- 398.11221 192.2
[M]+ 377.13699 187.9
[M]- 377.13809 187.9
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.