CID 11670017

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(iodomethyl)phosphinic acid

Structural Information

Molecular Formula
C11H15IN5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CI)O)N=[N+]=[N-]
InChI
InChI=1S/C11H15IN5O6P/c1-6-3-17(11(19)14-10(6)18)9-2-7(15-16-13)8(23-9)4-22-24(20,21)5-12/h3,7-9H,2,4-5H2,1H3,(H,20,21)(H,14,18,19)/t7-,8+,9+/m0/s1
InChIKey
WLSFGKCGJZVFKD-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(iodomethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.98047 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.98775 194.0
[M+Na]+ 493.96969 193.0
[M-H]- 469.97319 191.6
[M+NH4]+ 489.01429 198.9
[M+K]+ 509.94363 192.8
[M+H-H2O]+ 453.97773 183.9
[M+HCOO]- 515.97867 216.1
[M+CH3COO]- 529.99432 217.0
[M+Na-2H]- 491.95514 187.3
[M]+ 470.97992 190.7
[M]- 470.98102 190.7
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.