CID 3025416

102613-22-9

Structural Information

Molecular Formula
C14H14ClFN2O3
SMILES
CC(C)OC1=C(C=C(C=C1)CN2C(=O)C(=CNC2=O)F)Cl
InChI
InChI=1S/C14H14ClFN2O3/c1-8(2)21-12-4-3-9(5-10(12)15)7-18-13(19)11(16)6-17-14(18)20/h3-6,8H,7H2,1-2H3,(H,17,20)
InChIKey
DDJAOCAJOUNAQT-UHFFFAOYSA-N
Compound name
3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0677 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07498 164.3
[M+Na]+ 335.05692 175.8
[M-H]- 311.06042 166.7
[M+NH4]+ 330.10152 177.0
[M+K]+ 351.03086 169.7
[M+H-H2O]+ 295.06496 155.6
[M+HCOO]- 357.06590 178.7
[M+CH3COO]- 371.08155 202.8
[M+Na-2H]- 333.04237 166.2
[M]+ 312.06715 167.8
[M]- 312.06825 167.8
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

No patent data available for this compound.