PubChemLite - Anstex sa 300f (C58H115NO4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C58H115NO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-59(53-55-62-57(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-56-63-58(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-56H2,1-3H3

InChIKey

XAOVLTFSYJGGBC-UHFFFAOYSA-N

Compound name

2-[2-octadecanoyloxyethyl(octadecyl)amino]ethyl octadecanoate

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]+	890.88988	335.0
[M+Na]+	912.87182	339.3
[M-H]-	888.87532	315.0
[M+NH4]+	907.91642	339.6
[M+K]+	928.84576	348.9
[M+H-H2O]+	872.87986	334.0
[M+HCOO]-	934.88080	329.9
[M+CH3COO]-	948.89645	326.4
[M+Na-2H]-	910.85727	311.0
[M]+	889.88205	335.1
[M]-	889.88315	335.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

890.88988

335.0

[M+Na]+

912.87182

339.3

[M-H]-

888.87532

315.0

[M+NH4]+

907.91642

339.6

[M+K]+

928.84576

348.9

[M+H-H2O]+

872.87986

334.0

[M+HCOO]-

934.88080

329.9

[M+CH3COO]-

948.89645

326.4

[M+Na-2H]-

910.85727

311.0

[M]+

889.88205

335.1

[M]-

889.88315

335.1

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

Anstex sa 300f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe