PubChemLite - 2123485-34-5 (C24H37NO3)

Structural Information

Molecular Formula

SMILES

CCC1C(O1)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO

InChI

InChI=1S/C24H37NO3/c1-2-22-23(28-22)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24(27)25-20-21-26/h3-4,7-10,13-16,22-23,26H,2,5-6,11-12,17-21H2,1H3,(H,25,27)/b4-3-,9-7-,10-8-,15-13-,16-14-

InChIKey

HQRHKQCFLLFLJV-MBYQGORISA-N

Compound name

(4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-N-(2-hydroxyethyl)octadeca-4,7,10,13,16-pentaenamide

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]+	388.28462	199.5
[M+Na]+	410.26656	202.9
[M-H]-	386.27006	201.0
[M+NH4]+	405.31116	204.8
[M+K]+	426.24050	194.9
[M+H-H2O]+	370.27460	191.3
[M+HCOO]-	432.27554	217.3
[M+CH3COO]-	446.29119	222.7
[M+Na-2H]-	408.25201	197.3
[M]+	387.27679	206.1
[M]-	387.27789	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.28462

199.5

[M+Na]+

410.26656

202.9

[M-H]-

386.27006

201.0

[M+NH4]+

405.31116

204.8

[M+K]+

426.24050

194.9

[M+H-H2O]+

370.27460

191.3

[M+HCOO]-

432.27554

217.3

[M+CH3COO]-

446.29119

222.7

[M+Na-2H]-

408.25201

197.3

[M]+

387.27679

206.1

[M]-

387.27789

206.1

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

2123485-34-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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