CID 52923743

Pc(o-16:0/16:1(9z))

Structural Information

Molecular Formula
C40H81NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,39H,6-16,18,20-38H2,1-5H3/p+1/b19-17-/t39-/m1/s1
InChIKey
HJVQHTGUAIETCQ-VEAYGOGPSA-O
Compound name
2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

718.5751 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.58238 280.9
[M+Na]+ 741.56432 283.1
[M+NH4]+ 736.60892 254.2
[M+K]+ 757.53826 287.8
[M-H]- 717.56782 274.7
[M+Na-2H]- 739.54977 268.8
[M]+ 718.57455 280.6
[M]- 718.57565 280.6
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.