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

literature stripe

Patent stripe

patents stripe