CID 135771929

Chembl393696

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CCC(C1=CC(=O)NC(=N1)N(C)C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C15H17F2N3O/c1-4-9(14-10(16)6-5-7-11(14)17)12-8-13(21)19-15(18-12)20(2)3/h5-9H,4H2,1-3H3,(H,18,19,21)
InChIKey
BGKLIWYEOPOXND-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.13397 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14125 166.2
[M+Na]+ 316.12319 175.1
[M-H]- 292.12669 168.3
[M+NH4]+ 311.16779 179.0
[M+K]+ 332.09713 170.4
[M+H-H2O]+ 276.13123 155.4
[M+HCOO]- 338.13217 184.8
[M+CH3COO]- 352.14782 208.3
[M+Na-2H]- 314.10864 167.7
[M]+ 293.13342 164.9
[M]- 293.13452 164.9
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.