CID 135434834

Chembl241666

Structural Information

Molecular Formula
C16H17F2N3O
SMILES
C1CCN(CC1)C2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C16H17F2N3O/c17-13-5-4-6-14(18)12(13)9-11-10-15(22)20-16(19-11)21-7-2-1-3-8-21/h4-6,10H,1-3,7-9H2,(H,19,20,22)
InChIKey
SOASNPRPIZLAMB-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.13397 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14125 171.7
[M+Na]+ 328.12319 179.3
[M-H]- 304.12669 172.9
[M+NH4]+ 323.16779 181.3
[M+K]+ 344.09713 171.9
[M+H-H2O]+ 288.13123 158.9
[M+HCOO]- 350.13217 184.8
[M+CH3COO]- 364.14782 180.2
[M+Na-2H]- 326.10864 173.2
[M]+ 305.13342 164.3
[M]- 305.13452 164.3
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.