CID 138453944

Chebi:143883

Structural Information

Molecular Formula
C24H46NO5P
SMILES
CCCCCCCCCCCCC/C=C/[C@@H]1[C@H](COP(=O)(O1)O)NC(=O)CCCCC
InChI
InChI=1S/C24H46NO5P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23-22(21-29-31(27,28)30-23)25-24(26)20-17-6-4-2/h18-19,22-23H,3-17,20-21H2,1-2H3,(H,25,26)(H,27,28)/b19-18+/t22-,23+/m0/s1
InChIKey
LEQIFDXNJJECKQ-QFWQFVLDSA-N
Compound name
N-[(4R,5S)-2-hydroxy-2-oxo-4-[(E)-pentadec-1-enyl]-1,3,2lambda5-dioxaphosphinan-5-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.31137 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.31865 225.1
[M+Na]+ 482.30059 224.3
[M-H]- 458.30409 224.1
[M+NH4]+ 477.34519 232.5
[M+K]+ 498.27453 222.0
[M+H-H2O]+ 442.30863 214.9
[M+HCOO]- 504.30957 243.4
[M+CH3COO]- 518.32522 236.5
[M+Na-2H]- 480.28604 219.6
[M]+ 459.31082 231.4
[M]- 459.31192 231.4
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.