CID 5313132

Pc(15:0/16:0)

Structural Information

Molecular Formula
C39H79NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/p+1/t37-/m1/s1
InChIKey
LLHISNQVRRYJGL-DIPNUNPCSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

720.5543 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.56158 279.0
[M+Na]+ 743.54352 281.5
[M+NH4]+ 738.58812 255.4
[M+K]+ 759.51746 286.3
[M-H]- 719.54702 273.2
[M+Na-2H]- 741.52897 267.2
[M]+ 720.55375 279.0
[M]- 720.55485 279.0
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

patents stripe