CID 138453938

Chebi:143865

Structural Information

Molecular Formula
C29H56NO5P
SMILES
CCCCCCCCCCCC/C=C/[C@@H]1[C@H](COP(=O)(O1)O)NC(=O)CCCCCCCCCCC
InChI
InChI=1S/C29H56NO5P/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28-27(26-34-36(32,33)35-28)30-29(31)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28H,3-21,23,25-26H2,1-2H3,(H,30,31)(H,32,33)/b24-22+/t27-,28+/m0/s1
InChIKey
WCWADZSYRHRKHD-LVDQGNEYSA-N
Compound name
N-[(4R,5S)-2-hydroxy-2-oxo-4-[(E)-tetradec-1-enyl]-1,3,2lambda5-dioxaphosphinan-5-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.3896 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.39688 246.8
[M+Na]+ 552.37882 243.9
[M-H]- 528.38232 244.8
[M+NH4]+ 547.42342 241.3
[M+K]+ 568.35276 240.6
[M+H-H2O]+ 512.38686 235.8
[M+HCOO]- 574.38780 261.1
[M+CH3COO]- 588.40345 251.1
[M+Na-2H]- 550.36427 238.9
[M]+ 529.38905 254.9
[M]- 529.39015 254.9
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.