CID 135771930

Chembl238907

Structural Information

Molecular Formula
C16H19F2N3O
SMILES
CCC1=C(N=C(NC1=O)N(C)C)C(C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C16H19F2N3O/c1-5-10-14(19-16(21(3)4)20-15(10)22)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)
InChIKey
CPXSCMDBZJDCCN-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.14963 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.156906 170.8
[M+Na]+ 330.138848 180.2
[M-H]- 306.142354 173.1
[M+NH4]+ 325.183453 183.3
[M+K]+ 346.112788 175.3
[M+H-H2O]+ 290.146890 160.0
[M+HCOO]- 352.147831 189.0
[M+CH3COO]- 366.163481 212.6
[M+Na-2H]- 328.124296 171.0
[M]+ 307.14908142 170.2
[M]- 307.15017858 170.2
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.