CID 131668422

Chebi:149632

Structural Information

Molecular Formula
C18H36NO5P
SMILES
CCC/C=C\CCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C18H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h4-5,14-15,17-18,20H,2-3,6-13,16,19H2,1H3,(H2,21,22,23)/b5-4-,15-14+/t17-,18+/m0/s1
InChIKey
UYQLIIBGFGHMQC-YQDZIVAPSA-N
Compound name
[(2S,3R,4E,14Z)-2-amino-3-hydroxyoctadeca-4,14-dienyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23312 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24040 202.0
[M+Na]+ 400.22234 202.0
[M-H]- 376.22584 187.1
[M+NH4]+ 395.26694 189.2
[M+K]+ 416.19628 197.9
[M+H-H2O]+ 360.23038 193.0
[M+HCOO]- 422.23132 199.8
[M+CH3COO]- 436.24697 215.3
[M+Na-2H]- 398.20779 195.6
[M]+ 377.23257 185.7
[M]- 377.23367 185.7
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.