CID 52922435

Pc(16:1(9z)/14:1(9z))

Structural Information

Molecular Formula
C38H73NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h13,15-16,18,36H,6-12,14,17,19-35H2,1-5H3/p+1/b15-13-,18-16-/t36-/m1/s1
InChIKey
WEVWHXAKLAWWAP-KQGJYXFZSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

702.5074 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.51468 271.4
[M+Na]+ 725.49662 274.7
[M+NH4]+ 720.54122 247.7
[M+K]+ 741.47056 280.6
[M-H]- 701.50012 266.1
[M+Na-2H]- 723.48207 260.7
[M]+ 702.50685 271.9
[M]- 702.50795 271.9
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.