PubChemLite - Myxalamid b (C25H39NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H39NO3/c1-18(2)15-21(5)24(28)22(6)16-19(3)13-11-9-8-10-12-14-20(4)25(29)26-23(7)17-27/h8-16,18,22-24,27-28H,17H2,1-7H3,(H,26,29)/b9-8-,12-10+,13-11+,19-16+,20-14+,21-15+/t22-,23+,24+/m1/s1

InChIKey

QQZJCNSHAVQKIC-DDKJXSSXSA-N

Compound name

(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethylheptadeca-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]+	402.30028	209.2
[M+Na]+	424.28222	216.7
[M-H]-	400.28572	206.0
[M+NH4]+	419.32682	211.2
[M+K]+	440.25616	202.8
[M+H-H2O]+	384.29026	203.0
[M+HCOO]-	446.29120	199.0
[M+CH3COO]-	460.30685	226.2
[M+Na-2H]-	422.26767	196.2
[M]+	401.29245	199.8
[M]-	401.29355	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.30028

209.2

[M+Na]+

424.28222

216.7

[M-H]-

400.28572

206.0

[M+NH4]+

419.32682

211.2

[M+K]+

440.25616

202.8

[M+H-H2O]+

384.29026

203.0

[M+HCOO]-

446.29120

199.0

[M+CH3COO]-

460.30685

226.2

[M+Na-2H]-

422.26767

196.2

[M]+

401.29245

199.8

[M]-

401.29355

199.8

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

Myxalamid b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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