CID 138453946

Chebi:143884

Structural Information

Molecular Formula
C30H58NO5P
SMILES
CCCCCCCCCCCCC/C=C/[C@@H]1[C@H](COP(=O)(O1)O)NC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H58NO5P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29-28(27-35-37(33,34)36-29)31-30(32)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29H,3-22,24,26-27H2,1-2H3,(H,31,32)(H,33,34)/b25-23+/t28-,29+/m0/s1
InChIKey
QSUSTOFGUONMHK-VARSQMIESA-N
Compound name
N-[(4R,5S)-2-hydroxy-2-oxo-4-[(E)-pentadec-1-enyl]-1,3,2lambda5-dioxaphosphinan-5-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.4053 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.41258 251.1
[M+Na]+ 566.39452 247.8
[M-H]- 542.39802 248.8
[M+NH4]+ 561.43912 244.8
[M+K]+ 582.36846 244.2
[M+H-H2O]+ 526.40256 239.9
[M+HCOO]- 588.40350 264.3
[M+CH3COO]- 602.41915 254.0
[M+Na-2H]- 564.37997 242.7
[M]+ 543.40475 259.5
[M]- 543.40585 259.5
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.