CID 5279521

2,4(1h,3h)-pyrimidinedione, 1-[[(1r,2r)-2-(hydroxymethyl)-3-methylenecyclopropyl]methyl]-5-fluoro-

Structural Information

Molecular Formula
C10H11FN2O3
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C10H11FN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKey
WVKXKLHDHZBROA-BQBZGAKWSA-N
Compound name
5-fluoro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.07536 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08264 149.7
[M+Na]+ 249.06458 162.9
[M-H]- 225.06808 151.9
[M+NH4]+ 244.10918 160.1
[M+K]+ 265.03852 155.7
[M+H-H2O]+ 209.07262 141.9
[M+HCOO]- 271.07356 168.7
[M+CH3COO]- 285.08921 188.8
[M+Na-2H]- 247.05003 152.2
[M]+ 226.07481 151.5
[M]- 226.07591 151.5
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

No patent data available for this compound.