CID 67105571

1150560-59-0

Structural Information

Molecular Formula
C20H15F5N2O3
SMILES
CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C(=CC=C3)OC)F
InChI
InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)
InChIKey
RKWZHFVZKOVXSK-UHFFFAOYSA-N
Compound name
5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

426.10028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10756 198.2
[M+Na]+ 449.08950 211.1
[M-H]- 425.09300 199.2
[M+NH4]+ 444.13410 205.3
[M+K]+ 465.06344 202.8
[M+H-H2O]+ 409.09754 183.7
[M+HCOO]- 471.09848 211.0
[M+CH3COO]- 485.11413 226.6
[M+Na-2H]- 447.07495 196.7
[M]+ 426.09973 195.6
[M]- 426.10083 195.6
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

patents stripe