PubChemLite - Cv-6209 (C34H60N3O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC

InChI

InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1

InChIKey

LSUANMYXNFBGDT-UHFFFAOYSA-O

Compound name

[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

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]+	607.45548	234.6
[M+Na]+	629.43742	239.9
[M+NH4]+	624.48202	239.1
[M+K]+	645.41136	235.5
[M-H]-	605.44092	229.5
[M+Na-2H]-	627.42287	238.6
[M]+	606.44765	234.5
[M]-	606.44875	234.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.45548

234.6

[M+Na]+

629.43742

239.9

[M+NH4]+

624.48202

239.1

[M+K]+

645.41136

235.5

[M-H]-

605.44092

229.5

[M+Na-2H]-

627.42287

238.6

[M]+

606.44765

234.5

[M]-

606.44875

234.5

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

Cv-6209

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe