CID 5479428

Oph-n(bzocoet)po3nh azt

Structural Information

Molecular Formula
C26H29N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C26H29N6O8P/c1-17-14-32(26(35)28-24(17)33)23-13-21(29-31-27)22(39-23)16-38-41(36,40-20-11-7-4-8-12-20)30-18(2)25(34)37-15-19-9-5-3-6-10-19/h3-12,14,18,21-23H,13,15-16H2,1-2H3,(H,30,36)(H,28,33,35)/t18-,21-,22+,23+,41?/m0/s1
InChIKey
FFOPZZHUJNUOSA-VPBKFYLYSA-N
Compound name
benzyl (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

584.17847 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.18575 227.6
[M+Na]+ 607.16769 226.4
[M-H]- 583.17119 238.2
[M+NH4]+ 602.21229 226.0
[M+K]+ 623.14163 221.3
[M+H-H2O]+ 567.17573 216.5
[M+HCOO]- 629.17667 253.2
[M+CH3COO]- 643.19232 256.3
[M+Na-2H]- 605.15314 231.6
[M]+ 584.17792 227.6
[M]- 584.17902 227.6
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.