CID 5087555

Cambridge id 7249517

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1=CC(=NC(=C1)C(=O)NCC2=CC=CO2)C(=O)NCC3=CC=CO3
InChI
InChI=1S/C17H15N3O4/c21-16(18-10-12-4-2-8-23-12)14-6-1-7-15(20-14)17(22)19-11-13-5-3-9-24-13/h1-9H,10-11H2,(H,18,21)(H,19,22)
InChIKey
OWCRVZQZAITCBX-UHFFFAOYSA-N
Compound name
2-N,6-N-bis(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 173.8
[M+Na]+ 348.09548 179.9
[M-H]- 324.09898 184.5
[M+NH4]+ 343.14008 185.9
[M+K]+ 364.06942 179.1
[M+H-H2O]+ 308.10352 165.3
[M+HCOO]- 370.10446 199.5
[M+CH3COO]- 384.12011 208.0
[M+Na-2H]- 346.08093 177.7
[M]+ 325.10571 178.0
[M]- 325.10681 178.0
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.