CID 473451

Schembl9994774

Structural Information

Molecular Formula
C11H14FN3O4
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H](C[C@H](O2)CO)F
InChI
InChI=1S/C11H14FN3O4/c1-6(17)13-9-2-3-15(11(18)14-9)10-8(12)4-7(5-16)19-10/h2-3,7-8,10,16H,4-5H2,1H3,(H,13,14,17,18)/t7-,8+,10+/m0/s1
InChIKey
MFABATGYVBMUAJ-QXFUBDJGSA-N
Compound name
N-[1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.09683 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10411 157.8
[M+Na]+ 294.08605 165.9
[M-H]- 270.08955 160.5
[M+NH4]+ 289.13065 171.0
[M+K]+ 310.05999 164.1
[M+H-H2O]+ 254.09409 149.0
[M+HCOO]- 316.09503 176.1
[M+CH3COO]- 330.11068 196.2
[M+Na-2H]- 292.07150 159.0
[M]+ 271.09628 156.9
[M]- 271.09738 156.9
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