PubChemLite - Caproctamine (C40H66N4O4)

Structural Information

Molecular Formula

SMILES

CN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC

InChI

InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3

InChIKey

HDAQKLAKMZNBQB-UHFFFAOYSA-N

Compound name

6-[(2-methoxyphenyl)methyl-methylamino]-N-[8-[6-[(2-methoxyphenyl)methyl-methylamino]hexanoyl-methylamino]octyl]-N-methylhexanamide

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]+	667.51568	276.2
[M+Na]+	689.49762	280.2
[M+NH4]+	684.54222	295.0
[M+K]+	705.47156	294.5
[M-H]-	665.50112	286.0
[M+Na-2H]-	687.48307	277.8
[M]+	666.50785	277.3
[M]-	666.50895	277.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

667.51568

276.2

[M+Na]+

689.49762

280.2

[M+NH4]+

684.54222

295.0

[M+K]+

705.47156

294.5

[M-H]-

665.50112

286.0

[M+Na-2H]-

687.48307

277.8

[M]+

666.50785

277.3

[M]-

666.50895

277.3

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

Caproctamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe