CID 5274286

2,4(1h,3h)-pyrimidinedione, 1-[5-(acetylamino)-2,5-dideoxy-b-d-erythro-pentofuranosyl]-5-iodo-

Structural Information

Molecular Formula
C11H14IN3O5
SMILES
CC(=O)NC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O
InChI
InChI=1S/C11H14IN3O5/c1-5(16)13-3-8-7(17)2-9(20-8)15-4-6(12)10(18)14-11(15)19/h4,7-9,17H,2-3H2,1H3,(H,13,16)(H,14,18,19)/t7-,8+,9+/m0/s1
InChIKey
KPSLWNCWVDMKLT-DJLDLDEBSA-N
Compound name
N-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.99783 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.00511 173.2
[M+Na]+ 417.98705 174.3
[M-H]- 393.99055 169.3
[M+NH4]+ 413.03165 180.6
[M+K]+ 433.96099 177.7
[M+H-H2O]+ 377.99509 162.1
[M+HCOO]- 439.99603 186.1
[M+CH3COO]- 454.01168 204.8
[M+Na-2H]- 415.97250 161.7
[M]+ 394.99728 170.1
[M]- 394.99838 170.1
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.