PubChemLite - Ps(20:2(11z,14z)/0:0) (C26H48NO9P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C26H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)34-20-23(28)21-35-37(32,33)36-22-24(27)26(30)31/h6-7,9-10,23-24,28H,2-5,8,11-22,27H2,1H3,(H,30,31)(H,32,33)/b7-6-,10-9-/t23-,24+/m1/s1

InChIKey

ZLBMVWNMXQYAGW-POMKQTDJSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid

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]+	550.31392	227.9
[M+Na]+	572.29586	231.5
[M-H]-	548.29936	225.9
[M+NH4]+	567.34046	230.6
[M+K]+	588.26980	227.6
[M+H-H2O]+	532.30390	217.7
[M+HCOO]-	594.30484	228.3
[M+CH3COO]-	608.32049	246.3
[M+Na-2H]-	570.28131	211.8
[M]+	549.30609	221.7
[M]-	549.30719	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.31392

227.9

[M+Na]+

572.29586

231.5

[M-H]-

548.29936

225.9

[M+NH4]+

567.34046

230.6

[M+K]+

588.26980

227.6

[M+H-H2O]+

532.30390

217.7

[M+HCOO]-

594.30484

228.3

[M+CH3COO]-

608.32049

246.3

[M+Na-2H]-

570.28131

211.8

[M]+

549.30609

221.7

[M]-

549.30719

221.7

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

Ps(20:2(11z,14z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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