CID 52924013

Pc(p-20:0/19:1(9z))

Structural Information

Molecular Formula
C47H93NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C47H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-52-44-46(45-54-56(50,51)53-43-41-48(3,4)5)55-47(49)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h23,26,39,42,46H,6-22,24-25,27-38,40-41,43-45H2,1-5H3/p+1/b26-23-,42-39-/t46-/m1/s1
InChIKey
GLURJCWZMKBYPE-RRMBENRGSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-icos-1-enoxy]-2-[(Z)-nonadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.66895 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.67623 301.3
[M+Na]+ 837.65817 302.1
[M-H]- 813.66167 291.0
[M+NH4]+ 832.70277 307.1
[M+K]+ 853.63211 306.5
[M+H-H2O]+ 797.66621 285.1
[M+HCOO]- 859.66715 307.1
[M+CH3COO]- 873.68280 298.8
[M+Na-2H]- 835.64362 277.8
[M]+ 814.66840 299.1
[M]- 814.66950 299.1
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.