CID 16061331

C26 cerp

Structural Information

Molecular Formula
C44H88NO6P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C44H88NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h37,39,42-43,46H,3-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50)/b39-37+/t42-,43+/m0/s1
InChIKey
MGCPUMGEWRJETA-GVOPMEMSSA-N
Compound name
[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)icos-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

757.63495 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.64223 287.4
[M+Na]+ 780.62417 287.9
[M-H]- 756.62767 274.1
[M+NH4]+ 775.66877 286.3
[M+K]+ 796.59811 292.4
[M+H-H2O]+ 740.63221 274.6
[M+HCOO]- 802.63315 282.3
[M+CH3COO]- 816.64880 291.7
[M+Na-2H]- 778.60962 263.4
[M]+ 757.63440 281.6
[M]- 757.63550 281.6
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.