PubChemLite - Lpe(20:5) (C25H42NO7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

InChI

InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1

InChIKey

KCWGBXXAJHVZNN-KOYQJJOGSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

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]+	500.27718	216.9
[M+Na]+	522.25912	223.2
[M-H]-	498.26262	213.4
[M+NH4]+	517.30372	218.1
[M+K]+	538.23306	216.8
[M+H-H2O]+	482.26716	206.8
[M+HCOO]-	544.26810	226.2
[M+CH3COO]-	558.28375	236.5
[M+Na-2H]-	520.24457	202.6
[M]+	499.26935	210.3
[M]-	499.27045	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.27718

216.9

[M+Na]+

522.25912

223.2

[M-H]-

498.26262

213.4

[M+NH4]+

517.30372

218.1

[M+K]+

538.23306

216.8

[M+H-H2O]+

482.26716

206.8

[M+HCOO]-

544.26810

226.2

[M+CH3COO]-

558.28375

236.5

[M+Na-2H]-

520.24457

202.6

[M]+

499.26935

210.3

[M]-

499.27045

210.3

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

Lpe(20:5)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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