PubChemLite - Nsc677664 (C37H39NO6)

Structural Information

Molecular Formula

SMILES

C1C(CC(=O)NC1=O)C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C37H39NO6/c39-34-21-32(22-35(40)38-34)36(43-25-30-17-9-3-10-18-30)37(44-26-31-19-11-4-12-20-31)33(42-24-29-15-7-2-8-16-29)27-41-23-28-13-5-1-6-14-28/h1-20,32-33,36-37H,21-27H2,(H,38,39,40)

InChIKey

ZVKXMOKDCZLKIW-UHFFFAOYSA-N

Compound name

4-[1,2,3,4-tetrakis(phenylmethoxy)butyl]piperidine-2,6-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]+	594.28498	243.6
[M+Na]+	616.26692	239.4
[M-H]-	592.27042	252.2
[M+NH4]+	611.31152	240.4
[M+K]+	632.24086	234.4
[M+H-H2O]+	576.27496	227.8
[M+HCOO]-	638.27590	253.9
[M+CH3COO]-	652.29155	254.1
[M+Na-2H]-	614.25237	239.1
[M]+	593.27715	241.1
[M]-	593.27825	241.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

594.28498

243.6

[M+Na]+

616.26692

239.4

[M-H]-

592.27042

252.2

[M+NH4]+

611.31152

240.4

[M+K]+

632.24086

234.4

[M+H-H2O]+

576.27496

227.8

[M+HCOO]-

638.27590

253.9

[M+CH3COO]-

652.29155

254.1

[M+Na-2H]-

614.25237

239.1

[M]+

593.27715

241.1

[M]-

593.27825

241.1

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

Nsc677664

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe