CID 53478666

Pc(15:0/p-18:1(11z))

Structural Information

Molecular Formula
C41H81NO7P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,33,36,40H,6-15,17,19-32,34-35,37-39H2,1-5H3/p+1/b18-16-,36-33-
InChIKey
SNQGEFDVUMOEBG-PUZYIBGZSA-O
Compound name
2-[hydroxy-[2-[(1Z,11Z)-octadeca-1,11-dienoxy]-3-pentadecanoyloxypropoxy]phosphoryl]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 281.9
[M+Na]+ 753.56432 284.1
[M+NH4]+ 748.60892 255.3
[M+K]+ 769.53826 289.3
[M-H]- 729.56782 275.8
[M+Na-2H]- 751.54977 269.8
[M]+ 730.57455 281.7
[M]- 730.57565 281.7
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.