CID 5274233

Azu-mep

Structural Information

Molecular Formula
C10H14N5O6P
SMILES
CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)N=[N+]=[N-]
InChI
InChI=1S/C10H14N5O6P/c1-22(18,19)20-5-7-6(13-14-11)4-9(21-7)15-3-2-8(16)12-10(15)17/h2-3,6-7,9H,4-5H2,1H3,(H,18,19)(H,12,16,17)/t6-,7+,9+/m0/s1
InChIKey
VRZXLIIBHMRUIA-LKEWCRSYSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.06818 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07546 165.9
[M+Na]+ 354.05740 171.8
[M-H]- 330.06090 170.4
[M+NH4]+ 349.10200 176.3
[M+K]+ 370.03134 166.3
[M+H-H2O]+ 314.06544 159.8
[M+HCOO]- 376.06638 194.4
[M+CH3COO]- 390.08203 203.0
[M+Na-2H]- 352.04285 173.4
[M]+ 331.06763 164.7
[M]- 331.06873 164.7
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.