CID 137323936

1-(2-methoxy-19z-hexacosaenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C32H66NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C32H66NO7P/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/h8-9,31-32,34H,3-7,10-30,33H2,1-2H3,(H,35,36)/b9-8-/t31-,32?/m1/s1
InChIKey
IMZFBZZCFDVQSC-QUBTWJPSSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxyhexacos-19-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.4577 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.46498 252.2
[M+Na]+ 630.44692 254.1
[M-H]- 606.45042 241.7
[M+NH4]+ 625.49152 251.4
[M+K]+ 646.42086 252.9
[M+H-H2O]+ 590.45496 240.8
[M+HCOO]- 652.45590 254.2
[M+CH3COO]- 666.47155 263.2
[M+Na-2H]- 628.43237 232.1
[M]+ 607.45715 246.4
[M]- 607.45825 246.4
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.