CID 135434801

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

Structural Information

Molecular Formula
C16H16F2N2O2
SMILES
C1CCC(C1)OC2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C16H16F2N2O2/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)
InChIKey
NVVJZYUDNGJKAM-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11798 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12526 167.7
[M+Na]+ 329.10720 176.0
[M-H]- 305.11070 171.1
[M+NH4]+ 324.15180 180.8
[M+K]+ 345.08114 169.8
[M+H-H2O]+ 289.11524 156.6
[M+HCOO]- 351.11618 184.9
[M+CH3COO]- 365.13183 177.9
[M+Na-2H]- 327.09265 167.7
[M]+ 306.11743 163.6
[M]- 306.11853 163.6
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.