CID 455297

Azt-bis(2no2ph)po4

Structural Information

Molecular Formula
C22H20N7O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC3=CC=CC=C3[N+](=O)[O-])OC4=CC=CC=C4[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C22H20N7O11P/c1-13-11-27(22(31)24-21(13)30)20-10-14(25-26-23)19(38-20)12-37-41(36,39-17-8-4-2-6-15(17)28(32)33)40-18-9-5-3-7-16(18)29(34)35/h2-9,11,14,19-20H,10,12H2,1H3,(H,24,30,31)/t14-,19+,20+/m0/s1
InChIKey
HZWQTNZEZXAAMY-VHKYSDTDSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(2-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.0958 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.10308 222.5
[M+Na]+ 612.08502 250.3
[M-H]- 588.08852 246.2
[M+NH4]+ 607.12962 246.4
[M+K]+ 628.05896 206.8
[M+H-H2O]+ 572.09306 219.2
[M+HCOO]- 634.09400 267.2
[M+CH3COO]- 648.10965 240.3
[M+Na-2H]- 610.07047 256.6
[M]+ 589.09525 220.1
[M]- 589.09635 220.1
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.