CID 5275883

2-amino-6-[(2,6-difluorophenyl)methyl]-3-methyl-pyrimidin-4-one

Structural Information

Molecular Formula
C12H11F2N3O
SMILES
CN1C(=O)C=C(N=C1N)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C12H11F2N3O/c1-17-11(18)6-7(16-12(17)15)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKey
XKZTZCWEHLWHNK-UHFFFAOYSA-N
Compound name
2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.08702 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09430 153.6
[M+Na]+ 274.07624 165.4
[M-H]- 250.07974 155.9
[M+NH4]+ 269.12084 168.3
[M+K]+ 290.05018 160.0
[M+H-H2O]+ 234.08428 143.4
[M+HCOO]- 296.08522 174.6
[M+CH3COO]- 310.10087 198.2
[M+Na-2H]- 272.06169 157.2
[M]+ 251.08647 151.9
[M]- 251.08757 151.9
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.