CID 461276

13-oma-azt-tp

Structural Information

Molecular Formula
C23H40N5O15P3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CCCCCCCCCCCOC)N=[N+]=[N-]
InChI
InChI=1S/C23H40N5O15P3/c1-17-15-28(23(31)25-22(17)30)20-14-18(26-27-24)19(40-20)16-39-44(32,33)42-46(36,37)43-45(34,35)41-21(29)12-10-8-6-4-3-5-7-9-11-13-38-2/h15,18-20H,3-14,16H2,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,25,30,31)/t18-,19+,20+/m0/s1
InChIKey
FMBNNIXACWDDKM-XUVXKRRUSA-N
Compound name
[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 12-methoxydodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

719.1734 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.18068 235.5
[M+Na]+ 742.16262 239.5
[M-H]- 718.16612 236.1
[M+NH4]+ 737.20722 278.2
[M+K]+ 758.13656 232.9
[M+H-H2O]+ 702.17066 222.7
[M+HCOO]- 764.17160 290.6
[M+CH3COO]- 778.18725 269.3
[M+Na-2H]- 740.14807 252.7
[M]+ 719.17285 242.8
[M]- 719.17395 242.8
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.