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

9
Patents

185.05891 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 137.6
[M+Na]+ 208.048128 146.0
[M-H]- 184.051634 140.2
[M+NH4]+ 203.092733 152.6
[M+K]+ 224.022068 142.7
[M+H-H2O]+ 168.056170 128.2
[M+HCOO]- 230.057111 158.6
[M+CH3COO]- 244.072761 150.1
[M+Na-2H]- 206.033576 146.9
[M]+ 185.05836142 136.8
[M]- 185.05945858 136.8
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

patents stripe