CID 137323934

1-(2-methoxy-5z,9z-hexacosadienyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C32H64NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\CC/C=C\CCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C32H64NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(37-2)30-38-28-31(34)29-40-41(35,36)39-27-26-33/h18-19,22-23,31-32,34H,3-17,20-21,24-30,33H2,1-2H3,(H,35,36)/b19-18-,23-22-/t31-,32?/m1/s1
InChIKey
JLRBRJPLNVJDGV-KICXUCCOSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(5Z,9Z)-2-methoxyhexacosa-5,9-dienoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.442 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.44928 249.7
[M+Na]+ 628.43122 252.2
[M-H]- 604.43472 240.1
[M+NH4]+ 623.47582 249.3
[M+K]+ 644.40516 250.6
[M+H-H2O]+ 588.43926 238.5
[M+HCOO]- 650.44020 252.7
[M+CH3COO]- 664.45585 261.9
[M+Na-2H]- 626.41667 230.2
[M]+ 605.44145 243.8
[M]- 605.44255 243.8
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.