CID 52922480

Pc(17:0/14:0)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 279.7
[M+Na]+ 743.54352 281.4
[M-H]- 719.54702 273.7
[M+NH4]+ 738.58812 287.6
[M+K]+ 759.51746 283.3
[M+H-H2O]+ 703.55156 265.0
[M+HCOO]- 765.55250 285.2
[M+CH3COO]- 779.56815 281.0
[M+Na-2H]- 741.52897 259.1
[M]+ 720.55375 278.0
[M]- 720.55485 278.0
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.