CID 146171606

Lpg 15:0-d5

Structural Information

Molecular Formula
C21H43O9P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCC(CO)O)O
InChI
InChI=1S/C21H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-16-20(24)18-30-31(26,27)29-17-19(23)15-22/h19-20,22-24H,2-18H2,1H3,(H,26,27)/t19?,20-/m1/s1/i16D2,18D2,20D
InChIKey
IQCRPCJDPOCRDZ-OYSHYRSBSA-N
Compound name
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

475.29587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.30315 205.2
[M+Na]+ 498.28509 203.9
[M-H]- 474.28859 201.9
[M+NH4]+ 493.32969 205.9
[M+K]+ 514.25903 202.9
[M+H-H2O]+ 458.29313 189.8
[M+HCOO]- 520.29407 214.0
[M+CH3COO]- 534.30972 228.8
[M+Na-2H]- 496.27054 189.3
[M]+ 475.29532 206.4
[M]- 475.29642 206.4
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.