CID 5479429

Oph-n(chexocoet)po3nh azt

Structural Information

Molecular Formula
C25H33N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC3CCCCC3)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C25H33N6O8P/c1-16-14-31(25(34)27-23(16)32)22-13-20(28-30-26)21(38-22)15-36-40(35,39-19-11-7-4-8-12-19)29-17(2)24(33)37-18-9-5-3-6-10-18/h4,7-8,11-12,14,17-18,20-22H,3,5-6,9-10,13,15H2,1-2H3,(H,29,35)(H,27,32,34)/t17-,20-,21+,22+,40?/m0/s1
InChIKey
UCBDXBGCWARTPF-OAGMGVSMSA-N
Compound name
cyclohexyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2098 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.21708 223.2
[M+Na]+ 599.19902 219.9
[M-H]- 575.20252 232.7
[M+NH4]+ 594.24362 221.8
[M+K]+ 615.17296 215.3
[M+H-H2O]+ 559.20706 212.8
[M+HCOO]- 621.20800 245.2
[M+CH3COO]- 635.22365 254.8
[M+Na-2H]- 597.18447 225.5
[M]+ 576.20925 219.2
[M]- 576.21035 219.2
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.