CID 135434819

4(3h)-pyrimidinone, 6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(propylamino)-

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CCCNC1=NC(=C(C(=O)N1)C)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C15H17F2N3O/c1-3-7-18-15-19-13(9(2)14(21)20-15)8-10-11(16)5-4-6-12(10)17/h4-6H,3,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKey
ZGPOWUGFLXLBPD-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.13397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14125 167.1
[M+Na]+ 316.12319 177.0
[M-H]- 292.12669 167.9
[M+NH4]+ 311.16779 179.6
[M+K]+ 332.09713 170.4
[M+H-H2O]+ 276.13123 156.5
[M+HCOO]- 338.13217 186.1
[M+CH3COO]- 352.14782 205.4
[M+Na-2H]- 314.10864 169.6
[M]+ 293.13342 165.5
[M]- 293.13452 165.5
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.