CID 135771932

Chembl239063

Structural Information

Molecular Formula
C17H19F2N3O2
SMILES
CC1=C(N=C(NC1=O)N2CCOCC2)C(C)C3=C(C=CC=C3F)F
InChI
InChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)
InChIKey
CQFHTAOWHQBLSP-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.14453 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15181 180.7
[M+Na]+ 358.13375 188.6
[M-H]- 334.13725 183.0
[M+NH4]+ 353.17835 188.1
[M+K]+ 374.10769 183.2
[M+H-H2O]+ 318.14179 168.0
[M+HCOO]- 380.14273 191.8
[M+CH3COO]- 394.15838 189.0
[M+Na-2H]- 356.11920 180.3
[M]+ 335.14398 175.5
[M]- 335.14508 175.5
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.