CID 514806

78636-53-0

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m1/s1
InChIKey
QZZJZXAWLQYJFK-JVZYCSMKSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

35
Patents

259.09683 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 155.8
[M+Na]+ 282.08605 165.7
[M-H]- 258.08955 157.4
[M+NH4]+ 277.13065 169.3
[M+K]+ 298.05999 162.9
[M+H-H2O]+ 242.09409 147.8
[M+HCOO]- 304.09503 173.0
[M+CH3COO]- 318.11068 193.6
[M+Na-2H]- 280.07150 155.7
[M]+ 259.09628 154.0
[M]- 259.09738 154.0
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