PubChemLite - 21322-34-9 (C35H33N5O4)

Structural Information

Molecular Formula

SMILES

CCCN(CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33N5O4/c1-2-23-38(24-39-30(41)34(36-32(39)43,26-15-7-3-8-16-26)27-17-9-4-10-18-27)25-40-31(42)35(37-33(40)44,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-25H2,1H3,(H,36,43)(H,37,44)

InChIKey

XYDBEEQLZMIBQB-UHFFFAOYSA-N

Compound name

3-[[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl-propylamino]methyl]-5,5-diphenylimidazolidine-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]+	588.26051	236.8
[M+Na]+	610.24245	240.2
[M-H]-	586.24595	249.0
[M+NH4]+	605.28705	238.7
[M+K]+	626.21639	232.4
[M+H-H2O]+	570.25049	221.9
[M+HCOO]-	632.25143	249.1
[M+CH3COO]-	646.26708	241.0
[M+Na-2H]-	608.22790	231.5
[M]+	587.25268	233.1
[M]-	587.25378	233.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

588.26051

236.8

[M+Na]+

610.24245

240.2

[M-H]-

586.24595

249.0

[M+NH4]+

605.28705

238.7

[M+K]+

626.21639

232.4

[M+H-H2O]+

570.25049

221.9

[M+HCOO]-

632.25143

249.1

[M+CH3COO]-

646.26708

241.0

[M+Na-2H]-

608.22790

231.5

[M]+

587.25268

233.1

[M]-

587.25378

233.1

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

21322-34-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe