PubChemLite - Tr 2984 (C29H29Cl2N3O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1C2=CC=CC=C2)CCCN3C(=O)C(NC3=O)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H29Cl2N3O2/c30-25-11-7-23(8-12-25)29(24-9-13-26(31)14-10-24)27(35)34(28(36)32-29)18-4-17-33-19-15-22(16-20-33)21-5-2-1-3-6-21/h1-3,5-14,22H,4,15-20H2,(H,32,36)

InChIKey

UULRPXDVHUQHLB-UHFFFAOYSA-N

Compound name

5,5-bis(4-chlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

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]+	522.17098	227.6
[M+Na]+	544.15292	233.3
[M-H]-	520.15642	235.7
[M+NH4]+	539.19752	232.6
[M+K]+	560.12686	222.9
[M+H-H2O]+	504.16096	213.4
[M+HCOO]-	566.16190	229.4
[M+CH3COO]-	580.17755	232.2
[M+Na-2H]-	542.13837	221.3
[M]+	521.16315	224.8
[M]-	521.16425	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.17098

227.6

[M+Na]+

544.15292

233.3

[M-H]-

520.15642

235.7

[M+NH4]+

539.19752

232.6

[M+K]+

560.12686

222.9

[M+H-H2O]+

504.16096

213.4

[M+HCOO]-

566.16190

229.4

[M+CH3COO]-

580.17755

232.2

[M+Na-2H]-

542.13837

221.3

[M]+

521.16315

224.8

[M]-

521.16425

224.8

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

Tr 2984

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe