CID 5283559

474923-27-8

Structural Information

Molecular Formula
C17H36NO5P
SMILES
CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1
InChIKey
VITGNIYTXHNNNE-LHMZYYNSSA-N
Compound name
[(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

365.23312 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24040 198.9
[M+Na]+ 388.22234 199.0
[M-H]- 364.22584 185.5
[M+NH4]+ 383.26694 187.7
[M+K]+ 404.19628 195.7
[M+H-H2O]+ 348.23038 190.0
[M+HCOO]- 410.23132 198.2
[M+CH3COO]- 424.24697 213.8
[M+Na-2H]- 386.20779 193.0
[M]+ 365.23257 202.0
[M]- 365.23367 202.0
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

patents stripe