PubChemLite - Tr 2993 (C30H33N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCN3CCC(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2/c1-23-13-15-27(16-14-23)30(26-11-6-3-7-12-26)28(34)33(29(35)31-30)20-8-19-32-21-17-25(18-22-32)24-9-4-2-5-10-24/h2-7,9-16,25H,8,17-22H2,1H3,(H,31,35)

InChIKey

ITMSZDNMVYTZMI-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-5-phenyl-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]+	468.26454	219.1
[M+Na]+	490.24648	222.4
[M-H]-	466.24998	227.9
[M+NH4]+	485.29108	224.4
[M+K]+	506.22042	213.4
[M+H-H2O]+	450.25452	204.6
[M+HCOO]-	512.25546	230.2
[M+CH3COO]-	526.27111	224.2
[M+Na-2H]-	488.23193	214.2
[M]+	467.25671	212.1
[M]-	467.25781	212.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.26454

219.1

[M+Na]+

490.24648

222.4

[M-H]-

466.24998

227.9

[M+NH4]+

485.29108

224.4

[M+K]+

506.22042

213.4

[M+H-H2O]+

450.25452

204.6

[M+HCOO]-

512.25546

230.2

[M+CH3COO]-

526.27111

224.2

[M+Na-2H]-

488.23193

214.2

[M]+

467.25671

212.1

[M]-

467.25781

212.1

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

Tr 2993

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe