CID 510998

Schembl16409715

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)F
InChI
InChI=1S/C10H14FN3O4/c11-8-5(3-15)6(4-16)18-9(8)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,3-4H2,(H2,12,13,17)/t5-,6-,8+,9-/m1/s1
InChIKey
SSMRNGDZWPOTHG-MTSNSDSCSA-N
Compound name
4-amino-1-[(2R,3S,4R,5S)-3-fluoro-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

259.09683 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 155.1
[M+Na]+ 282.08605 164.2
[M-H]- 258.08955 156.4
[M+NH4]+ 277.13065 168.3
[M+K]+ 298.05999 161.4
[M+H-H2O]+ 242.09409 146.9
[M+HCOO]- 304.09503 172.4
[M+CH3COO]- 318.11068 192.2
[M+Na-2H]- 280.07150 155.9
[M]+ 259.09628 152.9
[M]- 259.09738 152.9
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.