PubChemLite - N-arachidonoylethanolamine phosphate(2-) (C22H38NO5P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)O

InChI

InChI=1S/C22H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28-29(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H2,25,26,27)/b7-6-,10-9-,13-12-,16-15-

InChIKey

PZPHIQQEQWCEGG-DOFZRALJSA-N

Compound name

2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl dihydrogen phosphate

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]+	428.25603	206.7
[M+Na]+	450.23797	213.5
[M+NH4]+	445.28257	208.4
[M+K]+	466.21191	209.0
[M-H]-	426.24147	200.7
[M+Na-2H]-	448.22342	212.2
[M]+	427.24820	205.8
[M]-	427.24930	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.25603

206.7

[M+Na]+

450.23797

213.5

[M+NH4]+

445.28257

208.4

[M+K]+

466.21191

209.0

[M-H]-

426.24147

200.7

[M+Na-2H]-

448.22342

212.2

[M]+

427.24820

205.8

[M]-

427.24930

205.8

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

N-arachidonoylethanolamine phosphate(2-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe