CID 165368705

Chebi:193087

Structural Information

Molecular Formula
C28H49O6P
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)(O)O)O)/C)/C)/C)/C)C
InChI
InChI=1S/C28H49O6P/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-16-26(5)17-10-18-27(6)19-20-33-21-28(29)22-34-35(30,31)32/h11,13,15,17,19,28-29H,7-10,12,14,16,18,20-22H2,1-6H3,(H2,30,31,32)/b24-13+,25-15+,26-17+,27-19+/t28-/m0/s1
InChIKey
LZZUUYIZXZJJAK-HLBVBGQJSA-N
Compound name
[(2S)-2-hydroxy-3-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.32666 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.33394 219.1
[M+Na]+ 535.31588 224.9
[M-H]- 511.31938 216.9
[M+NH4]+ 530.36048 225.2
[M+K]+ 551.28982 223.9
[M+H-H2O]+ 495.32392 211.2
[M+HCOO]- 557.32486 218.0
[M+CH3COO]- 571.34051 240.4
[M+Na-2H]- 533.30133 206.2
[M]+ 512.32611 215.4
[M]- 512.32721 215.4
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.