CID 131822797

Cdp-dg(a-25:0/i-14:0)

Structural Information

Molecular Formula
C51H95N3O15P2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C51H95N3O15P2/c1-5-42(4)33-29-25-21-16-14-12-10-8-6-7-9-11-13-15-17-22-26-30-34-46(55)64-38-43(67-47(56)35-31-27-23-19-18-20-24-28-32-41(2)3)39-65-70(60,61)69-71(62,63)66-40-44-48(57)49(58)50(68-44)54-37-36-45(52)53-51(54)59/h36-37,41-44,48-50,57-58H,5-35,38-40H2,1-4H3,(H,60,61)(H,62,63)(H2,52,53,59)/t42?,43-,44-,48+,49?,50-/m1/s1
InChIKey
QABZJNYKYOHKLU-RTEXTILYSA-N
Compound name
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(12-methyltridecanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1051.6239 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1052.6312 314.0
[M+Na]+ 1074.6131 316.5
[M-H]- 1050.6166 326.6
[M+NH4]+ 1069.6577 337.5
[M+K]+ 1090.5871 304.8
[M+H-H2O]+ 1034.6212 296.1
[M+HCOO]- 1096.6221 326.5
[M+CH3COO]- 1110.6378 334.5
[M+Na-2H]- 1072.5986 327.4
[M]+ 1051.6234 317.2
[M]- 1051.6244 317.2
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.