CID 137323928

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

Structural Information

Molecular Formula
C28H60NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C28H60NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(33-2)26-34-24-27(30)25-36-37(31,32)35-23-22-29/h27-28,30H,3-26,29H2,1-2H3,(H,31,32)/t27-,28?/m1/s1
InChIKey
WVOZATQXSDPOKR-QXPUDEPPSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxydocosoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.41077 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.41805 240.9
[M+Na]+ 576.39999 242.9
[M-H]- 552.40349 231.2
[M+NH4]+ 571.44459 239.9
[M+K]+ 592.37393 240.5
[M+H-H2O]+ 536.40803 230.0
[M+HCOO]- 598.40897 243.7
[M+CH3COO]- 612.42462 253.4
[M+Na-2H]- 574.38544 222.0
[M]+ 553.41022 235.3
[M]- 553.41132 235.3
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.