PubChemLite - 2,4,6,8,10,14-heptadecahexaenamide, 13-hydroxy-n-(2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl- (C24H37NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8+,12-10+,14-11+,18-16+,19-13+,20-15+

InChIKey

QGJPEZISMDKYLK-IWMFOADDSA-N

Compound name

(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylheptadeca-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]+	388.28462	204.1
[M+Na]+	410.26656	211.8
[M+NH4]+	405.31116	207.8
[M+K]+	426.24050	207.6
[M-H]-	386.27006	204.5
[M+Na-2H]-	408.25201	198.5
[M]+	387.27679	205.3
[M]-	387.27789	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.28462

204.1

[M+Na]+

410.26656

211.8

[M+NH4]+

405.31116

207.8

[M+K]+

426.24050

207.6

[M-H]-

386.27006

204.5

[M+Na-2H]-

408.25201

198.5

[M]+

387.27679

205.3

[M]-

387.27789

205.3

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

2,4,6,8,10,14-heptadecahexaenamide, 13-hydroxy-n-(2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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