PubChemLite - Mooreamide a (C24H39NO3)

Structural Information

Molecular Formula

SMILES

C/C(=C\C=C\CCCC=C)/CCCC/C=C/CC/C=C\C(=O)NC(CO)CO

InChI

InChI=1S/C24H39NO3/c1-3-4-5-6-11-14-17-22(2)18-15-12-9-7-8-10-13-16-19-24(28)25-23(20-26)21-27/h3,7-8,11,14,16-17,19,23,26-27H,1,4-6,9-10,12-13,15,18,20-21H2,2H3,(H,25,28)/b8-7+,14-11+,19-16-,22-17+

InChIKey

QZDRALHHNJQOTA-ZWMNDHQQSA-N

Compound name

(2Z,6E,12E,14E)-N-(1,3-dihydroxypropan-2-yl)-12-methylicosa-2,6,12,14,19-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]+	390.30028	206.5
[M+Na]+	412.28222	205.8
[M-H]-	388.28572	201.0
[M+NH4]+	407.32682	207.1
[M+K]+	428.25616	198.6
[M+H-H2O]+	372.29026	199.1
[M+HCOO]-	434.29120	214.1
[M+CH3COO]-	448.30685	221.1
[M+Na-2H]-	410.26767	199.8
[M]+	389.29245	207.6
[M]-	389.29355	207.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.30028

206.5

[M+Na]+

412.28222

205.8

[M-H]-

388.28572

201.0

[M+NH4]+

407.32682

207.1

[M+K]+

428.25616

198.6

[M+H-H2O]+

372.29026

199.1

[M+HCOO]-

434.29120

214.1

[M+CH3COO]-

448.30685

221.1

[M+Na-2H]-

410.26767

199.8

[M]+

389.29245

207.6

[M]-

389.29355

207.6

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

Mooreamide a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe