PubChemLite - Tr 2986 (C31H35N3O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCN3CCC(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H35N3O4/c1-37-27-13-9-25(10-14-27)31(26-11-15-28(38-2)16-12-26)29(35)34(30(36)32-31)20-6-19-33-21-17-24(18-22-33)23-7-4-3-5-8-23/h3-5,7-16,24H,6,17-22H2,1-2H3,(H,32,36)

InChIKey

MPYKAKUMOUDSPN-UHFFFAOYSA-N

Compound name

5,5-bis(4-methoxyphenyl)-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]+	514.27004	228.3
[M+Na]+	536.25198	231.4
[M-H]-	512.25548	237.3
[M+NH4]+	531.29658	231.8
[M+K]+	552.22592	224.0
[M+H-H2O]+	496.26002	213.7
[M+HCOO]-	558.26096	239.2
[M+CH3COO]-	572.27661	232.9
[M+Na-2H]-	534.23743	222.8
[M]+	513.26221	224.8
[M]-	513.26331	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.27004

228.3

[M+Na]+

536.25198

231.4

[M-H]-

512.25548

237.3

[M+NH4]+

531.29658

231.8

[M+K]+

552.22592

224.0

[M+H-H2O]+

496.26002

213.7

[M+HCOO]-

558.26096

239.2

[M+CH3COO]-

572.27661

232.9

[M+Na-2H]-

534.23743

222.8

[M]+

513.26221

224.8

[M]-

513.26331

224.8

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

Tr 2986

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe