CID 15958301

1-[(2,6-difluorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H18F2N2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=C(C=CC=C3F)F)C
InChI
InChI=1S/C20H18F2N2O2/c1-13-8-14(2)10-15(9-13)11-24-19(25)6-7-23(20(24)26)12-16-17(21)4-3-5-18(16)22/h3-10H,11-12H2,1-2H3
InChIKey
GMIQAMCQNZVQQS-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.13364 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14092 183.5
[M+Na]+ 379.12286 195.7
[M-H]- 355.12636 189.2
[M+NH4]+ 374.16746 194.1
[M+K]+ 395.09680 188.3
[M+H-H2O]+ 339.13090 171.0
[M+HCOO]- 401.13184 202.7
[M+CH3COO]- 415.14749 217.6
[M+Na-2H]- 377.10831 184.1
[M]+ 356.13309 184.9
[M]- 356.13419 184.9
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.