CID 135874880

1049874-27-2

Structural Information

Molecular Formula
C11H11N3O
SMILES
CCC1=CC(=O)NC(=N1)C2=CN=CC=C2
InChI
InChI=1S/C11H11N3O/c1-2-9-6-10(15)14-11(13-9)8-4-3-5-12-7-8/h3-7H,2H2,1H3,(H,13,14,15)
InChIKey
XDSQYRYUTKSFFP-UHFFFAOYSA-N
Compound name
4-ethyl-2-pyridin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.6
[M+Na]+ 224.07943 153.4
[M-H]- 200.08293 145.4
[M+NH4]+ 219.12403 158.1
[M+K]+ 240.05337 148.4
[M+H-H2O]+ 184.08747 134.7
[M+HCOO]- 246.08841 163.8
[M+CH3COO]- 260.10406 155.8
[M+Na-2H]- 222.06488 151.5
[M]+ 201.08966 142.8
[M]- 201.09076 142.8
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

No patent data available for this compound.