PubChemLite - 351197-46-1 (C24H48N4O6)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(C1)(C)CNC(=O)OCCOCCN(C)C)NC(=O)OCCOCCN(C)C)C

InChI

InChI=1S/C24H48N4O6/c1-23(2)16-20(26-22(30)34-15-13-32-11-9-28(6)7)17-24(3,18-23)19-25-21(29)33-14-12-31-10-8-27(4)5/h20H,8-19H2,1-7H3,(H,25,29)(H,26,30)

InChIKey

ALANNFAXTFZBEG-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]ethyl N-[3-[[2-[2-(dimethylamino)ethoxy]ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]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]+	489.36468	217.1
[M+Na]+	511.34662	215.3
[M-H]-	487.35012	220.3
[M+NH4]+	506.39122	251.3
[M+K]+	527.32056	218.5
[M+H-H2O]+	471.35466	209.9
[M+HCOO]-	533.35560	248.2
[M+CH3COO]-	547.37125	255.2
[M+Na-2H]-	509.33207	215.4
[M]+	488.35685	224.8
[M]-	488.35795	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.36468

217.1

[M+Na]+

511.34662

215.3

[M-H]-

487.35012

220.3

[M+NH4]+

506.39122

251.3

[M+K]+

527.32056

218.5

[M+H-H2O]+

471.35466

209.9

[M+HCOO]-

533.35560

248.2

[M+CH3COO]-

547.37125

255.2

[M+Na-2H]-

509.33207

215.4

[M]+

488.35685

224.8

[M]-

488.35795

224.8

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

351197-46-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe