CID 477419

(2r,5r)-1-[2,5-dihydro-5-(phosphonomethoxy)-2-furanyl]-5-iodocytosine

Structural Information

Molecular Formula
C9H11IN3O6P
SMILES
C1=C[C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)OCP(=O)(O)O
InChI
InChI=1S/C9H11IN3O6P/c10-5-3-13(9(14)12-8(5)11)6-1-2-7(19-6)18-4-20(15,16)17/h1-3,6-7H,4H2,(H2,11,12,14)(H2,15,16,17)/t6-,7+/m1/s1
InChIKey
NTTZVMNVYYZUCB-RQJHMYQMSA-N
Compound name
[(2R,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.94302 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.95030 180.3
[M+Na]+ 437.93224 181.0
[M-H]- 413.93574 174.9
[M+NH4]+ 432.97684 186.7
[M+K]+ 453.90618 185.8
[M+H-H2O]+ 397.94028 166.8
[M+HCOO]- 459.94122 198.3
[M+CH3COO]- 473.95687 206.6
[M+Na-2H]- 435.91769 168.8
[M]+ 414.94247 179.0
[M]- 414.94357 179.0
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

No patent data available for this compound.