CID 135988494

2-(2-chloropyridin-4-yl)-5,6-dimethyl-1,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=C(N=C(NC1=O)C2=CC(=NC=C2)Cl)C
InChI
InChI=1S/C11H10ClN3O/c1-6-7(2)14-10(15-11(6)16)8-3-4-13-9(12)5-8/h3-5H,1-2H3,(H,14,15,16)
InChIKey
PAIRXQOMYHXSSQ-UHFFFAOYSA-N
Compound name
2-(2-chloropyridin-4-yl)-4,5-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 149.0
[M+Na]+ 258.04046 161.3
[M-H]- 234.04396 151.2
[M+NH4]+ 253.08506 163.5
[M+K]+ 274.01440 154.8
[M+H-H2O]+ 218.04850 140.9
[M+HCOO]- 280.04944 164.5
[M+CH3COO]- 294.06509 161.5
[M+Na-2H]- 256.02591 154.8
[M]+ 235.05069 150.9
[M]- 235.05179 150.9
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.