CID 137323927

1-(2-methoxy-heneicosanyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C27H58NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C27H58NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(32-2)25-33-23-26(29)24-35-36(30,31)34-22-21-28/h26-27,29H,3-25,28H2,1-2H3,(H,30,31)/t26-,27?/m1/s1
InChIKey
YTTBHCUFMOPGGV-AVJYQCBHSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxyhenicosoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.3951 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.40238 237.4
[M+Na]+ 562.38432 239.6
[M-H]- 538.38782 228.1
[M+NH4]+ 557.42892 236.4
[M+K]+ 578.35826 236.8
[M+H-H2O]+ 522.39236 226.6
[M+HCOO]- 584.39330 240.6
[M+CH3COO]- 598.40895 250.6
[M+Na-2H]- 560.36977 218.9
[M]+ 539.39455 231.8
[M]- 539.39565 231.8
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.