CID 468144

Aztmp-dsg

Structural Information

Molecular Formula
C49H88N5O11P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H88N5O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(55)61-38-42(64-47(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-62-66(59,60)63-40-44-43(52-53-50)36-45(65-44)54-37-41(3)48(57)51-49(54)58/h37,42-45H,4-36,38-40H2,1-3H3,(H,59,60)(H,51,57,58)/t42?,43-,44+,45+/m0/s1
InChIKey
KZMMAOIHABKSJH-JGAWIVKWSA-N
Compound name
[3-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

953.62177 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 954.62905 318.8
[M+Na]+ 976.61099 329.5
[M-H]- 952.61449 321.1
[M+NH4]+ 971.65559 332.1
[M+K]+ 992.58493 327.7
[M+H-H2O]+ 936.61903 306.0
[M+HCOO]- 998.61997 331.8
[M+CH3COO]- 1012.6356 322.5
[M+Na-2H]- 974.59644 296.7
[M]+ 953.62122 314.1
[M]- 953.62232 314.1
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.