CID 5275885

2-amino-6-[1-(2,6-difluorophenyl)ethyl]-3,5-dimethyl-pyrimidin-4-one

Structural Information

Molecular Formula
C14H15F2N3O
SMILES
CC1=C(N=C(N(C1=O)C)N)C(C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3O/c1-7(11-9(15)5-4-6-10(11)16)12-8(2)13(20)19(3)14(17)18-12/h4-7H,1-3H3,(H2,17,18)
InChIKey
MGFRDECQXOTSLG-UHFFFAOYSA-N
Compound name
2-amino-6-[1-(2,6-difluorophenyl)ethyl]-3,5-dimethylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.11832 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12560 162.8
[M+Na]+ 302.10754 174.3
[M-H]- 278.11104 165.3
[M+NH4]+ 297.15214 176.6
[M+K]+ 318.08148 169.0
[M+H-H2O]+ 262.11558 152.6
[M+HCOO]- 324.11652 182.1
[M+CH3COO]- 338.13217 206.4
[M+Na-2H]- 300.09299 163.4
[M]+ 279.11777 161.5
[M]- 279.11887 161.5
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.