CID 451516

Flpu

Structural Information

Molecular Formula
C12H17FN2O4
SMILES
CCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C12H17FN2O4/c1-2-3-7-5-15(12(18)14-11(7)17)10-4-8(13)9(6-16)19-10/h5,8-10,16H,2-4,6H2,1H3,(H,14,17,18)/t8-,9+,10+/m0/s1
InChIKey
RKVXJCQNTSYKJO-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

272.11725 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12453 158.7
[M+Na]+ 295.10647 168.1
[M-H]- 271.10997 160.2
[M+NH4]+ 290.15107 172.0
[M+K]+ 311.08041 164.7
[M+H-H2O]+ 255.11451 150.7
[M+HCOO]- 317.11545 175.1
[M+CH3COO]- 331.13110 192.7
[M+Na-2H]- 293.09192 159.0
[M]+ 272.11670 158.2
[M]- 272.11780 158.2
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