PubChemLite - Tr 3163 (C31H35N3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H35N3O3/c1-23-9-13-26(14-10-23)31(27-15-11-24(2)12-16-27)28(35)34(29(36)32-31)20-6-19-33-21-17-30(37,18-22-33)25-7-4-3-5-8-25/h3-5,7-16,37H,6,17-22H2,1-2H3,(H,32,36)

InChIKey

GMALMGHBFDAATJ-UHFFFAOYSA-N

Compound name

3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)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]+	498.27513	225.1
[M+Na]+	520.25707	229.3
[M-H]-	496.26057	233.3
[M+NH4]+	515.30167	230.9
[M+K]+	536.23101	220.9
[M+H-H2O]+	480.26511	211.2
[M+HCOO]-	542.26605	234.7
[M+CH3COO]-	556.28170	229.9
[M+Na-2H]-	518.24252	220.3
[M]+	497.26730	219.2
[M]-	497.26840	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.27513

225.1

[M+Na]+

520.25707

229.3

[M-H]-

496.26057

233.3

[M+NH4]+

515.30167

230.9

[M+K]+

536.23101

220.9

[M+H-H2O]+

480.26511

211.2

[M+HCOO]-

542.26605

234.7

[M+CH3COO]-

556.28170

229.9

[M+Na-2H]-

518.24252

220.3

[M]+

497.26730

219.2

[M]-

497.26840

219.2

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

Tr 3163

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe