CID 53479614

Pe(18:0/p-16:0)

Structural Information

Molecular Formula
C39H78NO7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCC
InChI
InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
InChIKey
YUQKKCLQLSQTEV-WBXWDXDJSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

703.5516 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.55888 274.5
[M+Na]+ 726.54082 277.7
[M+NH4]+ 721.58542 278.1
[M+K]+ 742.51476 277.6
[M-H]- 702.54432 262.5
[M+Na-2H]- 724.52627 273.5
[M]+ 703.55105 272.4
[M]- 703.55215 272.4
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.