CID 135434799

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

Structural Information

Molecular Formula
C15H16F2N2O2
SMILES
CCC(C)OC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C15H16F2N2O2/c1-3-9(2)21-15-18-10(8-14(20)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20)
InChIKey
LYHMHFUVLTWPPA-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11798 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12526 165.4
[M+Na]+ 317.10720 174.9
[M-H]- 293.11070 166.0
[M+NH4]+ 312.15180 177.7
[M+K]+ 333.08114 169.5
[M+H-H2O]+ 277.11524 154.8
[M+HCOO]- 339.11618 182.7
[M+CH3COO]- 353.13183 202.1
[M+Na-2H]- 315.09265 167.2
[M]+ 294.11743 164.9
[M]- 294.11853 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.