CID 129626772

Phosphatidylethanolamine 7:0/6:0

Structural Information

Molecular Formula
C18H36NO8P
SMILES
CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC
InChI
InChI=1S/C18H36NO8P/c1-3-5-7-9-10-17(20)24-14-16(27-18(21)11-8-6-4-2)15-26-28(22,23)25-13-12-19/h16H,3-15,19H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKey
BVSONJOGLYNESH-MRXNPFEDSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.21786 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22514 205.7
[M+Na]+ 448.20708 210.5
[M+NH4]+ 443.25168 211.4
[M+K]+ 464.18102 207.0
[M-H]- 424.21058 202.4
[M+Na-2H]- 446.19253 212.0
[M]+ 425.21731 205.7
[M]- 425.21841 205.7
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.