CID 155293359

Ns00073775

Structural Information

Molecular Formula
C46H96O11P2
SMILES
C[C@H](CCC[C@@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC[C@@H](COP(=O)(O)O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C
InChI
InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/t39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
InChIKey
TZXJQSKPTCRGCA-BVUUKEOCSA-N
Compound name
[(2S)-2,3-bis[(3R,7R,11S)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2R)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

886.64276 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 887.65004 308.6
[M+Na]+ 909.63198 305.6
[M-H]- 885.63548 305.5
[M+NH4]+ 904.67658 321.9
[M+K]+ 925.60592 316.2
[M+H-H2O]+ 869.64002 291.5
[M+HCOO]- 931.64096 285.7
[M+CH3COO]- 945.65661 308.9
[M+Na-2H]- 907.61743 283.6
[M]+ 886.64221 312.8
[M]- 886.64331 312.8
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.