CID 3049109

4-pyridylnicotinamide

Structural Information

Molecular Formula
C11H9N3O
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=NC=C2
InChI
InChI=1S/C11H9N3O/c15-11(9-2-1-5-13-8-9)14-10-3-6-12-7-4-10/h1-8H,(H,12,14,15)
InChIKey
HVLLFBPOFNSPRN-UHFFFAOYSA-N
Compound name
N-pyridin-4-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

141
Patents

199.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 141.4
[M+Na]+ 222.06377 148.6
[M-H]- 198.06727 145.4
[M+NH4]+ 217.10837 157.0
[M+K]+ 238.03771 145.2
[M+H-H2O]+ 182.07181 132.5
[M+HCOO]- 244.07275 164.7
[M+CH3COO]- 258.08840 184.6
[M+Na-2H]- 220.04922 150.7
[M]+ 199.07400 139.8
[M]- 199.07510 139.8
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