CID 16727515

Nsc678005

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C11H15FN2O4/c1-6-4-14(11(16)13-10(6)17-2)9-3-7(12)8(5-15)18-9/h4,7-9,15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey
KBCYHHVUEZPJIB-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-methoxy-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.1016 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 154.0
[M+Na]+ 281.09082 164.0
[M-H]- 257.09432 157.0
[M+NH4]+ 276.13542 168.6
[M+K]+ 297.06476 162.3
[M+H-H2O]+ 241.09886 145.9
[M+HCOO]- 303.09980 172.1
[M+CH3COO]- 317.11545 192.7
[M+Na-2H]- 279.07627 155.3
[M]+ 258.10105 155.7
[M]- 258.10215 155.7
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.