CID 5274089

Schembl9082438

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
CC1=CN(C(=O)N=C1NO)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C10H14FN3O4/c1-5-3-14(10(16)12-9(5)13-17)8-2-6(11)7(4-15)18-8/h3,6-8,15,17H,2,4H2,1H3,(H,12,13,16)/t6-,7+,8+/m0/s1
InChIKey
TXCTVUKWPQTUAW-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.09683 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 154.6
[M+Na]+ 282.08605 163.7
[M-H]- 258.08955 156.4
[M+NH4]+ 277.13065 168.1
[M+K]+ 298.05999 161.2
[M+H-H2O]+ 242.09409 146.4
[M+HCOO]- 304.09503 172.5
[M+CH3COO]- 318.11068 192.7
[M+Na-2H]- 280.07150 156.4
[M]+ 259.09628 153.4
[M]- 259.09738 153.4
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

patents stripe