CID 135434810

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

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CCCCNC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C15H17F2N3O/c1-2-3-7-18-15-19-10(9-14(21)20-15)8-11-12(16)5-4-6-13(11)17/h4-6,9H,2-3,7-8H2,1H3,(H2,18,19,20,21)
InChIKey
AGODEYDTBIMAKA-UHFFFAOYSA-N
Compound name
2-(butylamino)-4-[(2,6-difluorophenyl)methyl]-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 166.6
[M+Na]+ 316.12319 175.6
[M-H]- 292.12669 167.0
[M+NH4]+ 311.16779 178.7
[M+K]+ 332.09713 168.9
[M+H-H2O]+ 276.13123 155.7
[M+HCOO]- 338.13217 185.6
[M+CH3COO]- 352.14782 204.1
[M+Na-2H]- 314.10864 169.9
[M]+ 293.13342 164.6
[M]- 293.13452 164.6
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.