PubChemLite - Myxalamid a (C26H41NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1

InChIKey

GDEZZTBHSFKRJN-CCICZWJZSA-N

Compound name

(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide

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]+	416.31593	212.1
[M+Na]+	438.29787	218.9
[M+NH4]+	433.34247	215.8
[M+K]+	454.27181	215.1
[M-H]-	414.30137	212.3
[M+Na-2H]-	436.28332	218.7
[M]+	415.30810	212.8
[M]-	415.30920	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.31593

212.1

[M+Na]+

438.29787

218.9

[M+NH4]+

433.34247

215.8

[M+K]+

454.27181

215.1

[M-H]-

414.30137

212.3

[M+Na-2H]-

436.28332

218.7

[M]+

415.30810

212.8

[M]-

415.30920

212.8

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

Myxalamid a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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