CID 15958300

246024-77-1

Structural Information

Molecular Formula
C17H12F2N2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C=CN(C2=O)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C17H12F2N2O2/c18-14-7-4-8-15(19)13(14)11-20-10-9-16(22)21(17(20)23)12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
ASEAULHCUHZPPQ-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.08667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09395 169.6
[M+Na]+ 337.07589 181.4
[M-H]- 313.07939 175.1
[M+NH4]+ 332.12049 181.4
[M+K]+ 353.04983 174.5
[M+H-H2O]+ 297.08393 157.4
[M+HCOO]- 359.08487 189.9
[M+CH3COO]- 373.10052 181.1
[M+Na-2H]- 335.06134 173.4
[M]+ 314.08612 169.2
[M]- 314.08722 169.2
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.