CID 3511863

3,4-pyridinedicarboxamide

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

C1=CN=CC(=C1C(=O)N)C(=O)N

InChI

InChI=1S/C7H7N3O2/c8-6(11)4-1-2-10-3-5(4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)

InChIKey

JYUVRSQEAUFLHD-UHFFFAOYSA-N

Compound name

pyridine-3,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 166
Patents: 165.05383 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.06111	132.4
[M+Na]+	188.04305	139.9
[M-H]-	164.04655	134.3
[M+NH4]+	183.08765	150.4
[M+K]+	204.01699	138.4
[M+H-H2O]+	148.05109	125.6
[M+HCOO]-	210.05203	156.0
[M+CH3COO]-	224.06768	181.8
[M+Na-2H]-	186.02850	137.1
[M]+	165.05328	129.2
[M]-	165.05438	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe