PubChemLite - Chebi:169930 (C26H39NO2)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C=C(\C)/C=C(\C)/C[C@H](C)CC/C=C/C(=O)C1=C[C@@H](NC1=O)CC(C)C

InChI

InChI=1S/C26H39NO2/c1-8-19(4)14-21(6)16-22(7)15-20(5)11-9-10-12-25(28)24-17-23(13-18(2)3)27-26(24)29/h8,10,12,14,16-18,20,23H,9,11,13,15H2,1-7H3,(H,27,29)/b12-10+,19-8+,21-14+,22-16+/t20-,23+/m1/s1

InChIKey

GIYRGJGMHNSYLK-MTXVQFIFSA-N

Compound name

(2S)-2-(2-methylpropyl)-4-[(2E,6R,8E,10E,12E)-6,8,10,12-tetramethyltetradeca-2,8,10,12-tetraenoyl]-1,2-dihydropyrrol-5-one

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]+	398.30535	206.7
[M+Na]+	420.28729	207.8
[M-H]-	396.29079	205.5
[M+NH4]+	415.33189	217.6
[M+K]+	436.26123	201.7
[M+H-H2O]+	380.29533	199.7
[M+HCOO]-	442.29627	217.8
[M+CH3COO]-	456.31192	226.4
[M+Na-2H]-	418.27274	194.2
[M]+	397.29752	206.1
[M]-	397.29862	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.30535

206.7

[M+Na]+

420.28729

207.8

[M-H]-

396.29079

205.5

[M+NH4]+

415.33189

217.6

[M+K]+

436.26123

201.7

[M+H-H2O]+

380.29533

199.7

[M+HCOO]-

442.29627

217.8

[M+CH3COO]-

456.31192

226.4

[M+Na-2H]-

418.27274

194.2

[M]+

397.29752

206.1

[M]-

397.29862

206.1

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

Chebi:169930

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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