CID 53479592

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

Structural Information

Molecular Formula
C37H74NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCC
InChI
InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
InChIKey
SSSSHIRACDQFCW-PXOIRPRXSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

675.52026 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.52754 268.0
[M+Na]+ 698.50948 271.4
[M+NH4]+ 693.55408 271.6
[M+K]+ 714.48342 270.9
[M-H]- 674.51298 256.6
[M+Na-2H]- 696.49493 267.7
[M]+ 675.51971 266.0
[M]- 675.52081 266.0
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.