PubChemLite - N-arachidonoyl-l-serine (C23H37NO4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-/t21-/m0/s1

InChIKey

FQUVPTVNRMUOPO-UPQKDGGNSA-N

Compound name

(2S)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic 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]+	392.27953	204.6
[M+Na]+	414.26147	204.2
[M-H]-	390.26497	199.2
[M+NH4]+	409.30607	206.3
[M+K]+	430.23541	197.8
[M+H-H2O]+	374.26951	197.1
[M+HCOO]-	436.27045	213.0
[M+CH3COO]-	450.28610	220.1
[M+Na-2H]-	412.24692	198.5
[M]+	391.27170	206.8
[M]-	391.27280	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.27953

204.6

[M+Na]+

414.26147

204.2

[M-H]-

390.26497

199.2

[M+NH4]+

409.30607

206.3

[M+K]+

430.23541

197.8

[M+H-H2O]+

374.26951

197.1

[M+HCOO]-

436.27045

213.0

[M+CH3COO]-

450.28610

220.1

[M+Na-2H]-

412.24692

198.5

[M]+

391.27170

206.8

[M]-

391.27280

206.8

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

N-arachidonoyl-l-serine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe