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-chloro-3-pyridinyl)-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]+ 222.042856 144.3
[M+Na]+ 244.024798 156.0
[M-H]- 220.028304 146.3
[M+NH4]+ 239.069403 159.1
[M+K]+ 259.998738 149.7
[M+H-H2O]+ 204.032840 136.1
[M+HCOO]- 266.033781 160.1
[M+CH3COO]- 280.049431 156.9
[M+Na-2H]- 242.010246 151.4
[M]+ 221.03503142 145.4
[M]- 221.03612858 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.