CID 135524747

4(3h)-pyrimidinone, 6-[(2,6-difluorophenyl)methyl]-2-(nitroamino)-

Structural Information

Molecular Formula
C11H8F2N4O3
SMILES
C1=CC(=C(C(=C1)F)CC2=CC(=O)NC(=N2)N[N+](=O)[O-])F
InChI
InChI=1S/C11H8F2N4O3/c12-8-2-1-3-9(13)7(8)4-6-5-10(18)15-11(14-6)16-17(19)20/h1-3,5H,4H2,(H2,14,15,16,18)
InChIKey
HVMNKJKWXJXXKU-UHFFFAOYSA-N
Compound name
N-[4-[(2,6-difluorophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.05646 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06374 154.5
[M+Na]+ 305.04568 163.2
[M-H]- 281.04918 155.6
[M+NH4]+ 300.09028 165.9
[M+K]+ 321.01962 153.9
[M+H-H2O]+ 265.05372 148.4
[M+HCOO]- 327.05466 176.0
[M+CH3COO]- 341.07031 193.3
[M+Na-2H]- 303.03113 161.9
[M]+ 282.05591 149.7
[M]- 282.05701 149.7
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.