PubChemLite - (z,z)-n,n'-hexane-1,6-diyldidocos-13-enamide (C50H96N2O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-49(53)51-47-43-39-40-44-48-52-50(54)46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)/b19-17-,20-18-

InChIKey

NLELJFDXXCCGFZ-CLFAGFIQSA-N

Compound name

(Z)-N-[6-[[(Z)-docos-13-enoyl]amino]hexyl]docos-13-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]+	757.75448	310.0
[M+Na]+	779.73642	317.1
[M-H]-	755.73992	293.4
[M+NH4]+	774.78102	308.6
[M+K]+	795.71036	321.2
[M+H-H2O]+	739.74446	306.4
[M+HCOO]-	801.74540	307.8
[M+CH3COO]-	815.76105	303.5
[M+Na-2H]-	777.72187	288.3
[M]+	756.74665	304.6
[M]-	756.74775	304.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

757.75448

310.0

[M+Na]+

779.73642

317.1

[M-H]-

755.73992

293.4

[M+NH4]+

774.78102

308.6

[M+K]+

795.71036

321.2

[M+H-H2O]+

739.74446

306.4

[M+HCOO]-

801.74540

307.8

[M+CH3COO]-

815.76105

303.5

[M+Na-2H]-

777.72187

288.3

[M]+

756.74665

304.6

[M]-

756.74775

304.6

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

(z,z)-n,n'-hexane-1,6-diyldidocos-13-enamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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