CID 6335167

Azt phosphonate dimer

Structural Information

Molecular Formula
C20H24N10O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C20H23N10O9P/c1-9-5-29(19(33)23-17(9)31)15-3-11(25-27-21)13(38-15)7-36-40(35)37-8-14-12(26-28-22)4-16(39-14)30-6-10(2)18(32)24-20(30)34/h5-6,11-16H,3-4,7-8H2,1-2H3,(H-,23,24,31,32,33,34)/p+1/t11-,12-,13+,14+,15+,16+/m0/s1
InChIKey
RAVKJZOHLZRNKT-KPRKPIBOSA-O
Compound name
bis[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

579.14655 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.15383 230.2
[M+Na]+ 602.13577 235.2
[M-H]- 578.13927 228.0
[M+NH4]+ 597.18037 234.8
[M+K]+ 618.10971 235.7
[M+H-H2O]+ 562.14381 221.8
[M+HCOO]- 624.14475 236.4
[M+CH3COO]- 638.16040 245.4
[M+Na-2H]- 600.12122 258.3
[M]+ 579.14600 276.8
[M]- 579.14710 276.8
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.