CID 135524744

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

Structural Information

Molecular Formula
C11H9F2N3O
SMILES
C1=CC(=C(C(=C1)F)CC2=CC(=O)NC(=N2)N)F
InChI
InChI=1S/C11H9F2N3O/c12-8-2-1-3-9(13)7(8)4-6-5-10(17)16-11(14)15-6/h1-3,5H,4H2,(H3,14,15,16,17)
InChIKey
PVWLXPCEKTWNIC-UHFFFAOYSA-N
Compound name
2-amino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.07137 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07865 149.1
[M+Na]+ 260.06059 160.0
[M-H]- 236.06409 149.8
[M+NH4]+ 255.10519 163.4
[M+K]+ 276.03453 153.8
[M+H-H2O]+ 220.06863 139.2
[M+HCOO]- 282.06957 168.9
[M+CH3COO]- 296.08522 191.5
[M+Na-2H]- 258.04604 153.6
[M]+ 237.07082 144.8
[M]- 237.07192 144.8
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.