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 149.7
[M+Na]+ 258.04046 166.9
[M+NH4]+ 253.08506 157.4
[M+K]+ 274.01440 159.2
[M-H]- 234.04396 152.3
[M+Na-2H]- 256.02591 158.7
[M]+ 235.05069 153.3
[M]- 235.05179 153.3
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.

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No patent data available for this compound.