CID 135988490

2-(6-chloropyridin-3-yl)-6-methyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
CC1=CC(=O)NC(=N1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN3O/c1-6-4-9(15)14-10(13-6)7-2-3-8(11)12-5-7/h2-5H,1H3,(H,13,14,15)
InChIKey
OEOXJFRUFQEDQI-UHFFFAOYSA-N
Compound name
2-(6-chloropyridin-3-yl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.03558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.3
[M+Na]+ 244.02480 156.0
[M-H]- 220.02830 146.3
[M+NH4]+ 239.06940 159.1
[M+K]+ 259.99874 149.7
[M+H-H2O]+ 204.03284 136.1
[M+HCOO]- 266.03378 160.1
[M+CH3COO]- 280.04943 156.9
[M+Na-2H]- 242.01025 151.4
[M]+ 221.03503 145.4
[M]- 221.03613 145.4
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.