CID 71306320

2-aminoethyl [(e,2s,3r)-2-formamido-3-hydroxyoctadec-4-enyl] hydrogen phosphate

Structural Information

Molecular Formula
C21H43N2O6P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCCN)NC=O)O
InChI
InChI=1S/C21H43N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)20(23-19-24)18-29-30(26,27)28-17-16-22/h14-15,19-21,25H,2-13,16-18,22H2,1H3,(H,23,24)(H,26,27)/b15-14+/t20-,21+/m0/s1
InChIKey
ORADYOXEBJITNS-LCIJNYEZSA-N
Compound name
2-aminoethyl [(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

450.2859 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.29318 214.7
[M+Na]+ 473.27512 220.6
[M-H]- 449.27862 210.7
[M+NH4]+ 468.31972 212.8
[M+K]+ 489.24906 213.6
[M+H-H2O]+ 433.28316 203.5
[M+HCOO]- 495.28410 219.8
[M+CH3COO]- 509.29975 234.5
[M+Na-2H]- 471.26057 199.8
[M]+ 450.28535 206.3
[M]- 450.28645 206.3
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.