CID 9547000

Pe(14:0/16:0)

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1
InChIKey
FXNACVVCWBVCGD-MGBGTMOVSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

663.4839 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.49118 264.3
[M+Na]+ 686.47312 267.5
[M+NH4]+ 681.51772 269.4
[M+K]+ 702.44706 267.1
[M-H]- 662.47662 255.3
[M+Na-2H]- 684.45857 264.9
[M]+ 663.48335 263.1
[M]- 663.48445 263.1
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

patents stripe