CID 126342

1-acetyl-3,2-toluyl-5-fluorouracil

Structural Information

Molecular Formula
C14H11FN2O4
SMILES
CC1=CC=CC=C1C(=O)N2C(=O)C(=CN(C2=O)C(=O)C)F
InChI
InChI=1S/C14H11FN2O4/c1-8-5-3-4-6-10(8)12(19)17-13(20)11(15)7-16(9(2)18)14(17)21/h3-7H,1-2H3
InChIKey
DRXHAKVGNKHFMB-UHFFFAOYSA-N
Compound name
1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

223
Patents

290.07028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07756 158.7
[M+Na]+ 313.05950 170.4
[M-H]- 289.06300 163.0
[M+NH4]+ 308.10410 172.0
[M+K]+ 329.03344 166.7
[M+H-H2O]+ 273.06754 149.4
[M+HCOO]- 335.06848 178.9
[M+CH3COO]- 349.08413 201.8
[M+Na-2H]- 311.04495 160.5
[M]+ 290.06973 161.3
[M]- 290.07083 161.3
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