CID 10535520

4-(pyridine-3-carbonyl)pyrimidine

Structural Information

Molecular Formula

C₁₀H₇N₃O

SMILES

C1=CC(=CN=C1)C(=O)C2=NC=NC=C2

InChI

InChI=1S/C10H7N3O/c14-10(8-2-1-4-11-6-8)9-3-5-12-7-13-9/h1-7H

InChIKey

TVNOUCJOFAILCD-UHFFFAOYSA-N

Compound name

pyridin-3-yl(pyrimidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 185.05891 Da
Monoisotopic Mass: 0.8
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]+	186.06619	137.6
[M+Na]+	208.04813	146.0
[M-H]-	184.05163	140.2
[M+NH4]+	203.09273	152.6
[M+K]+	224.02207	142.7
[M+H-H2O]+	168.05617	128.2
[M+HCOO]-	230.05711	158.6
[M+CH3COO]-	244.07276	150.1
[M+Na-2H]-	206.03358	146.9
[M]+	185.05836	136.8
[M]-	185.05946	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe