CID 15958304

1,3-bis[(2,6-difluorophenyl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H12F4N2O2
SMILES
C1=CC(=C(C(=C1)F)CN2C=CC(=O)N(C2=O)CC3=C(C=CC=C3F)F)F
InChI
InChI=1S/C18H12F4N2O2/c19-13-3-1-4-14(20)11(13)9-23-8-7-17(25)24(18(23)26)10-12-15(21)5-2-6-16(12)22/h1-8H,9-10H2
InChIKey
VVKJCRWCHTXZIU-UHFFFAOYSA-N
Compound name
1,3-bis[(2,6-difluorophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09078 181.1
[M+Na]+ 387.07272 194.3
[M-H]- 363.07622 184.4
[M+NH4]+ 382.11732 191.3
[M+K]+ 403.04666 186.2
[M+H-H2O]+ 347.08076 167.0
[M+HCOO]- 409.08170 198.7
[M+CH3COO]- 423.09735 217.1
[M+Na-2H]- 385.05817 181.5
[M]+ 364.08295 179.7
[M]- 364.08405 179.7
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.