PubChemLite - 63441-26-9 (C40H75N3O)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCNC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3,(H,42,44)/b19-17-,20-18-

InChIKey

VASZKKUIFVKZER-CLFAGFIQSA-N

Compound name

(Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide

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]+	614.59828	271.7
[M+Na]+	636.58022	265.3
[M-H]-	612.58372	253.6
[M+NH4]+	631.62482	268.6
[M+K]+	652.55416	255.5
[M+H-H2O]+	596.58826	258.7
[M+HCOO]-	658.58920	279.5
[M+CH3COO]-	672.60485	272.2
[M+Na-2H]-	634.56567	259.6
[M]+	613.59045	267.7
[M]-	613.59155	267.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

614.59828

271.7

[M+Na]+

636.58022

265.3

[M-H]-

612.58372

253.6

[M+NH4]+

631.62482

268.6

[M+K]+

652.55416

255.5

[M+H-H2O]+

596.58826

258.7

[M+HCOO]-

658.58920

279.5

[M+CH3COO]-

672.60485

272.2

[M+Na-2H]-

634.56567

259.6

[M]+

613.59045

267.7

[M]-

613.59155

267.7

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

63441-26-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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