CID 135434817

4-[(2,6-difluorophenyl)methyl]-2-(methylamino)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C12H11F2N3O
SMILES
CNC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C12H11F2N3O/c1-15-12-16-7(6-11(18)17-12)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKey
KWLUSUHKTWODRR-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.08702 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09430 153.0
[M+Na]+ 274.07624 163.4
[M-H]- 250.07974 154.0
[M+NH4]+ 269.12084 167.0
[M+K]+ 290.05018 157.4
[M+H-H2O]+ 234.08428 142.8
[M+HCOO]- 296.08522 173.2
[M+CH3COO]- 310.10087 195.1
[M+Na-2H]- 272.06169 158.0
[M]+ 251.08647 150.0
[M]- 251.08757 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.