CID 15958303

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

Structural Information

Molecular Formula
C19H17F2N3O2
SMILES
CC1=CC(=CC(=N1)C)CN2C(=O)C=CN(C2=O)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C19H17F2N3O2/c1-12-8-14(9-13(2)22-12)10-24-18(25)6-7-23(19(24)26)11-15-16(20)4-3-5-17(15)21/h3-9H,10-11H2,1-2H3
InChIKey
QWUFVURMHDNLTB-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-3-[(2,6-dimethylpyridin-4-yl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.12888 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13616 184.6
[M+Na]+ 380.11810 197.2
[M-H]- 356.12160 189.1
[M+NH4]+ 375.16270 193.8
[M+K]+ 396.09204 189.5
[M+H-H2O]+ 340.12614 171.5
[M+HCOO]- 402.12708 202.7
[M+CH3COO]- 416.14273 217.4
[M+Na-2H]- 378.10355 185.7
[M]+ 357.12833 186.1
[M]- 357.12943 186.1
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.