CID 135434812

4-[(2,6-difluorophenyl)methyl]-2-(2-methoxyethylamino)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C14H15F2N3O2
SMILES
COCCNC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3O2/c1-21-6-5-17-14-18-9(8-13(20)19-14)7-10-11(15)3-2-4-12(10)16/h2-4,8H,5-7H2,1H3,(H2,17,18,19,20)
InChIKey
GVJCVORMKFLKKB-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.11322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12050 165.0
[M+Na]+ 318.10244 174.3
[M-H]- 294.10594 165.6
[M+NH4]+ 313.14704 177.0
[M+K]+ 334.07638 168.5
[M+H-H2O]+ 278.11048 154.1
[M+HCOO]- 340.11142 184.6
[M+CH3COO]- 354.12707 203.3
[M+Na-2H]- 316.08789 168.9
[M]+ 295.11267 164.0
[M]- 295.11377 164.0
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.