CID 165415627

Lpc(0:0/22:5)

Structural Information

Molecular Formula
C30H53NO7P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)38-29(27-32)28-37-39(34,35)36-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,29,32H,5,8,11,14,17,20-28H2,1-4H3/p+1/b7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m1/s1
InChIKey
GHHKDOFSDBXDHL-NAIWXXGBSA-O
Compound name
2-[[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.35596 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.36324 236.4
[M+Na]+ 593.34518 241.3
[M-H]- 569.34868 234.6
[M+NH4]+ 588.38978 241.4
[M+K]+ 609.31912 237.2
[M+H-H2O]+ 553.35322 221.1
[M+HCOO]- 615.35416 249.8
[M+CH3COO]- 629.36981 245.4
[M+Na-2H]- 591.33063 220.9
[M]+ 570.35541 231.8
[M]- 570.35651 231.8
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.