CID 135434837

Chembl239717

Structural Information

Molecular Formula
C14H15F2N3O
SMILES
CC1=C(N=C(NC1=O)N(C)C)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3O/c1-8-12(17-14(19(2)3)18-13(8)20)7-9-10(15)5-4-6-11(9)16/h4-6H,7H2,1-3H3,(H,17,18,20)
InChIKey
KFLZPAOGRMSGPK-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.11832 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12560 162.0
[M+Na]+ 302.10754 172.5
[M-H]- 278.11104 164.5
[M+NH4]+ 297.15214 175.7
[M+K]+ 318.08148 167.5
[M+H-H2O]+ 262.11558 151.4
[M+HCOO]- 324.11652 181.9
[M+CH3COO]- 338.13217 205.7
[M+Na-2H]- 300.09299 164.4
[M]+ 279.11777 161.3
[M]- 279.11887 161.3
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.