CID 6481236

Psi-6130

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O)F
InChI
InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1
InChIKey
NYPIRLYMDJMKGW-VPCXQMTMSA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

1872
Patents

259.09683 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 153.2
[M+Na]+ 282.08605 163.3
[M-H]- 258.08955 154.9
[M+NH4]+ 277.13065 168.5
[M+K]+ 298.05999 160.8
[M+H-H2O]+ 242.09409 146.0
[M+HCOO]- 304.09503 170.6
[M+CH3COO]- 318.11068 191.8
[M+Na-2H]- 280.07150 155.5
[M]+ 259.09628 151.5
[M]- 259.09738 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

literature stripe

Patent stripe

patents stripe