PubChemLite - Lysope(0:0/20:4(5z,8z,11z,14z)) (C25H44NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1

InChIKey

YWOCITMXHHTBAW-XSQXPFHXSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	502.29283	218.9
[M+Na]+	524.27477	224.6
[M-H]-	500.27827	214.6
[M+NH4]+	519.31937	219.7
[M+K]+	540.24871	218.6
[M+H-H2O]+	484.28281	208.7
[M+HCOO]-	546.28375	227.3
[M+CH3COO]-	560.29940	237.9
[M+Na-2H]-	522.26022	204.1
[M]+	501.28500	212.5
[M]-	501.28610	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.29283

218.9

[M+Na]+

524.27477

224.6

[M-H]-

500.27827

214.6

[M+NH4]+

519.31937

219.7

[M+K]+

540.24871

218.6

[M+H-H2O]+

484.28281

208.7

[M+HCOO]-

546.28375

227.3

[M+CH3COO]-

560.29940

237.9

[M+Na-2H]-

522.26022

204.1

[M]+

501.28500

212.5

[M]-

501.28610

212.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lysope(0:0/20:4(5z,8z,11z,14z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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