CID 475837

Ct 7627

Structural Information

Molecular Formula
C33H58N5O12P
SMILES
CCCCCCCCCCCCCCCCCOP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)O)O)O)O
InChI
InChI=1S/C33H58N5O12P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-46-51(45,48-22-26-28(39)29(40)30(41)32(43)50-26)47-21-25-24(36-37-34)19-27(49-25)38-20-23(2)31(42)35-33(38)44/h20,24-30,32,39-41,43H,3-19,21-22H2,1-2H3,(H,35,42,44)/t24-,25+,26+,27+,28+,29-,30-,32+,51?/m0/s1
InChIKey
WWPOWIYHZWNHSP-QOGYMTLFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl heptadecyl [(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.38196 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.38924 263.9
[M+Na]+ 770.37118 266.4
[M-H]- 746.37468 260.0
[M+NH4]+ 765.41578 265.0
[M+K]+ 786.34512 263.0
[M+H-H2O]+ 730.37922 252.4
[M+HCOO]- 792.38016 266.2
[M+CH3COO]- 806.39581 282.9
[M+Na-2H]- 768.35663 287.0
[M]+ 747.38141 278.0
[M]- 747.38251 278.0
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.