864741-95-7 (C34H45N3O)

Structural Information

Molecular Formula

SMILES

CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)C(=O)CCC4CCCC4

InChI

InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3

InChIKey

SEQAMPXQRKYYQF-UHFFFAOYSA-N

Compound name

3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide

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]+	512.363536	232.5
[M+Na]+	534.345478	229.5
[M-H]-	510.348984	244.5
[M+NH4]+	529.390083	239.1
[M+K]+	550.319418	224.2
[M+H-H2O]+	494.353520	219.4
[M+HCOO]-	556.354461	253.5
[M+CH3COO]-	570.370111	258.0
[M+Na-2H]-	532.330926	227.6
[M]+	511.35571142	231.9
[M]-	511.35680858	231.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.363536

232.5

[M+Na]+

534.345478

229.5

[M-H]-

510.348984

244.5

[M+NH4]+

529.390083

239.1

[M+K]+

550.319418

224.2

[M+H-H2O]+

494.353520

219.4

[M+HCOO]-

556.354461

253.5

[M+CH3COO]-

570.370111

258.0

[M+Na-2H]-

532.330926

227.6

[M]+

511.35571142

231.9

[M]-

511.35680858

231.9

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

864741-95-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe