PubChemLite - N-arachidonoyl-l-alaninate (C23H37NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21(2)23(26)27/h7-8,10-11,13-14,16-17,21H,3-6,9,12,15,18-20H2,1-2H3,(H,24,25)(H,26,27)/b8-7-,11-10-,14-13-,17-16-/t21-/m0/s1

InChIKey

ZECSOKFEQQDUCP-GDYZQIPQSA-N

Compound name

(2S)-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]+	376.28462	201.5
[M+Na]+	398.26656	205.6
[M+NH4]+	393.31116	205.9
[M+K]+	414.24050	207.5
[M-H]-	374.27006	199.4
[M+Na-2H]-	396.25201	198.1
[M]+	375.27679	200.0
[M]-	375.27789	200.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.28462

201.5

[M+Na]+

398.26656

205.6

[M+NH4]+

393.31116

205.9

[M+K]+

414.24050

207.5

[M-H]-

374.27006

199.4

[M+Na-2H]-

396.25201

198.1

[M]+

375.27679

200.0

[M]-

375.27789

200.0

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

N-arachidonoyl-l-alaninate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe