CID 131822825

Cdp-dg(i-13:0/18:2(9z,11z))

Structural Information

Molecular Formula
C43H75N3O15P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C43H75N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-39(48)59-35(31-56-38(47)27-24-21-19-16-17-20-23-26-34(2)3)32-57-62(52,53)61-63(54,55)58-33-36-40(49)41(50)42(60-36)46-30-29-37(44)45-43(46)51/h9-12,29-30,34-36,40-42,49-50H,4-8,13-28,31-33H2,1-3H3,(H,52,53)(H,54,55)(H2,44,45,51)/b10-9-,12-11-/t35-,36-,40+,41?,42-/m1/s1
InChIKey
FOPKXVJPEYUUJG-RNKUEFOFSA-N
Compound name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

935.46735 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 936.47463 287.5
[M+Na]+ 958.45657 289.8
[M-H]- 934.46007 286.7
[M+NH4]+ 953.50117 308.8
[M+K]+ 974.43051 279.5
[M+H-H2O]+ 918.46461 270.2
[M+HCOO]- 980.46555 305.9
[M+CH3COO]- 994.48120 313.3
[M+Na-2H]- 956.44202 298.9
[M]+ 935.46680 288.3
[M]- 935.46790 288.3
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.