CID 6483659

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4-nitrophenyl)methyl phenyl phosphate

Structural Information

Molecular Formula
C23H23N6O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C23H23N6O9P/c1-15-12-28(23(31)25-22(15)30)21-11-19(26-27-24)20(37-21)14-36-39(34,38-18-5-3-2-4-6-18)35-13-16-7-9-17(10-8-16)29(32)33/h2-10,12,19-21H,11,13-14H2,1H3,(H,25,30,31)/t19-,20+,21+,39?/m0/s1
InChIKey
OIBDDFMBNJIDOT-DCGDVLQRSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-nitrophenyl)methyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

558.1264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.13368 220.2
[M+Na]+ 581.11562 219.5
[M-H]- 557.11912 231.2
[M+NH4]+ 576.16022 219.0
[M+K]+ 597.08956 209.8
[M+H-H2O]+ 541.12366 213.3
[M+HCOO]- 603.12460 246.7
[M+CH3COO]- 617.14025 242.0
[M+Na-2H]- 579.10107 229.7
[M]+ 558.12585 218.4
[M]- 558.12695 218.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.