CID 15957749

Schembl6086124

Structural Information

Molecular Formula
C21H20F2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=C(C=CC(=C2)F)F)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C21H20F2N2O3/c1-4-17-19(26)24-21(27)25(11-14-10-15(22)5-6-18(14)23)20(17)28-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,24,26,27)
InChIKey
YJKWNLFGYNYYQP-UHFFFAOYSA-N
Compound name
1-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

386.1442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15148 191.7
[M+Na]+ 409.13342 203.6
[M-H]- 385.13692 196.3
[M+NH4]+ 404.17802 200.6
[M+K]+ 425.10736 196.1
[M+H-H2O]+ 369.14146 179.4
[M+HCOO]- 431.14240 209.2
[M+CH3COO]- 445.15805 221.7
[M+Na-2H]- 407.11887 190.7
[M]+ 386.14365 193.5
[M]- 386.14475 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe