CID 52923769

Pc(o-18:0/14:0)

Structural Information

Molecular Formula
C40H83NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/p+1/t39-/m1/s1
InChIKey
PEBKRUKXUJTZIZ-LDLOPFEMSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecoxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

720.5907 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.59798 283.6
[M+Na]+ 743.57992 284.6
[M-H]- 719.58342 274.3
[M+NH4]+ 738.62452 288.9
[M+K]+ 759.55386 286.9
[M+H-H2O]+ 703.58796 268.0
[M+HCOO]- 765.58890 290.5
[M+CH3COO]- 779.60455 283.2
[M+Na-2H]- 741.56537 261.8
[M]+ 720.59015 281.4
[M]- 720.59125 281.4
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.