CID 52923887

Pc(p-16:0/17:1(9z))

Structural Information

Molecular Formula
C41H81NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h18,20,33,36,40H,6-17,19,21-32,34-35,37-39H2,1-5H3/p+1/b20-18-,36-33-/t40-/m1/s1
InChIKey
XNQGQGIJBSPOJJ-QZEVRULJSA-O
Compound name
2-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

730.5751 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.58238 282.2
[M+Na]+ 753.56432 284.1
[M-H]- 729.56782 274.1
[M+NH4]+ 748.60892 288.1
[M+K]+ 769.53826 286.0
[M+H-H2O]+ 713.57236 266.6
[M+HCOO]- 775.57330 290.3
[M+CH3COO]- 789.58895 283.0
[M+Na-2H]- 751.54977 261.0
[M]+ 730.57455 279.6
[M]- 730.57565 279.6
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.