CID 460041

Chembl473065

Structural Information

Molecular Formula
C9H11F2N3O3
SMILES
C1[C@H](O[C@H](C1(F)F)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H11F2N3O3/c10-9(11)3-7(17-5(9)4-15)14-2-1-6(12)13-8(14)16/h1-2,5,7,15H,3-4H2,(H2,12,13,16)/t5-,7-/m0/s1
InChIKey
BBEGIDJAWYEEOT-FSPLSTOPSA-N
Compound name
4-amino-1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

247.07684 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08412 147.8
[M+Na]+ 270.06606 158.1
[M-H]- 246.06956 149.2
[M+NH4]+ 265.11066 164.0
[M+K]+ 286.04000 155.6
[M+H-H2O]+ 230.07410 139.3
[M+HCOO]- 292.07504 165.8
[M+CH3COO]- 306.09069 190.1
[M+Na-2H]- 268.05151 151.0
[M]+ 247.07629 144.6
[M]- 247.07739 144.6
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