CID 135434839

Chembl238701

Structural Information

Molecular Formula
C16H17F2N3O2
SMILES
CC1=C(N=C(NC1=O)N2CCOCC2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C16H17F2N3O2/c1-10-14(9-11-12(17)3-2-4-13(11)18)19-16(20-15(10)22)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)
InChIKey
UDOJHIAHSXZNTA-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.12888 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13616 176.7
[M+Na]+ 344.11810 185.4
[M-H]- 320.12160 179.1
[M+NH4]+ 339.16270 184.7
[M+K]+ 360.09204 179.6
[M+H-H2O]+ 304.12614 163.9
[M+HCOO]- 366.12708 189.1
[M+CH3COO]- 380.14273 185.5
[M+Na-2H]- 342.10355 177.9
[M]+ 321.12833 171.7
[M]- 321.12943 171.7
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.