CID 3011510

[(1r,2s)-2-[(3-benzyl-2,4-dioxo-pyrimidin-1-yl)methyl]-2-fluoro-cyclopropyl]methyl acetate

Structural Information

Molecular Formula
C18H19FN2O4
SMILES
CC(=O)OC[C@H]1C[C@]1(CN2C=CC(=O)N(C2=O)CC3=CC=CC=C3)F
InChI
InChI=1S/C18H19FN2O4/c1-13(22)25-11-15-9-18(15,19)12-20-8-7-16(23)21(17(20)24)10-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3/t15-,18-/m1/s1
InChIKey
RIVQPLSNNJZBKI-CRAIPNDOSA-N
Compound name
[(1R,2S)-2-[(3-benzyl-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorocyclopropyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.13287 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14015 182.6
[M+Na]+ 369.12209 193.6
[M-H]- 345.12559 189.4
[M+NH4]+ 364.16669 190.5
[M+K]+ 385.09603 188.6
[M+H-H2O]+ 329.13013 172.7
[M+HCOO]- 391.13107 202.3
[M+CH3COO]- 405.14672 212.9
[M+Na-2H]- 367.10754 184.9
[M]+ 346.13232 188.6
[M]- 346.13342 188.6
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

No patent data available for this compound.