CID 5273627

Chembl222970

Structural Information

Molecular Formula
C11H13F2N5O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CF)CN=[N+]=[N-])F
InChI
InChI=1S/C11H13F2N5O3/c1-5-4-18(11(20)16-9(5)19)10-8(13)6(3-15-17-14)7(2-12)21-10/h4,6-8,10H,2-3H2,1H3,(H,16,19,20)/t6-,7-,8-,10-/m1/s1
InChIKey
OXUAVNYDCXRONO-FDDDBJFASA-N
Compound name
1-[(2R,3R,4R,5S)-4-(azidomethyl)-3-fluoro-5-(fluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.09863 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10591 163.7
[M+Na]+ 324.08785 173.0
[M-H]- 300.09135 168.2
[M+NH4]+ 319.13245 176.5
[M+K]+ 340.06179 164.9
[M+H-H2O]+ 284.09589 157.9
[M+HCOO]- 346.09683 187.3
[M+CH3COO]- 360.11248 203.5
[M+Na-2H]- 322.07330 168.6
[M]+ 301.09808 160.0
[M]- 301.09918 160.0
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

No patent data available for this compound.