CID 135410318

Chembl396683

Structural Information

Molecular Formula
C15H15F2N3O
SMILES
C1CCN(C1)C2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C15H15F2N3O/c16-12-4-3-5-13(17)11(12)8-10-9-14(21)19-15(18-10)20-6-1-2-7-20/h3-5,9H,1-2,6-8H2,(H,18,19,21)
InChIKey
IFKDJKDKRDFFPA-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.11832 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12560 165.0
[M+Na]+ 314.10754 173.9
[M-H]- 290.11104 167.1
[M+NH4]+ 309.15214 177.3
[M+K]+ 330.08148 167.1
[M+H-H2O]+ 274.11558 153.3
[M+HCOO]- 336.11652 180.9
[M+CH3COO]- 350.13217 175.0
[M+Na-2H]- 312.09299 165.3
[M]+ 291.11777 159.6
[M]- 291.11887 159.6
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.