CID 135434832

Chembl240769

Structural Information

Molecular Formula
C15H15F2N3O2
SMILES
C1COCCN1C2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C15H15F2N3O2/c16-12-2-1-3-13(17)11(12)8-10-9-14(21)19-15(18-10)20-4-6-22-7-5-20/h1-3,9H,4-8H2,(H,18,19,21)
InChIKey
SKKVIBRHOFYYQF-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.11322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12050 171.4
[M+Na]+ 330.10244 179.6
[M-H]- 306.10594 173.5
[M+NH4]+ 325.14704 179.6
[M+K]+ 346.07638 174.0
[M+H-H2O]+ 290.11048 158.6
[M+HCOO]- 352.11142 184.2
[M+CH3COO]- 366.12707 180.3
[M+Na-2H]- 328.08789 173.9
[M]+ 307.11267 165.7
[M]- 307.11377 165.7
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.