PubChemLite - Nsc639779 (C26H18Cl2N2O2Se2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H18Cl2N2O2Se2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,(H,29,31)(H,30,32)

InChIKey

XZXZQANNGVGIAX-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-[[2-[(4-chlorophenyl)carbamoyl]phenyl]diselanyl]benzamide

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]+	620.91488	239.2
[M+Na]+	642.89682	244.0
[M-H]-	618.90032	249.0
[M+NH4]+	637.94142	245.0
[M+K]+	658.87076	234.7
[M+H-H2O]+	602.90486	227.3
[M+HCOO]-	664.90580	250.9
[M+CH3COO]-	678.92145	244.7
[M+Na-2H]-	640.88227	236.8
[M]+	619.90705	242.3
[M]-	619.90815	242.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

620.91488

239.2

[M+Na]+

642.89682

244.0

[M-H]-

618.90032

249.0

[M+NH4]+

637.94142

245.0

[M+K]+

658.87076

234.7

[M+H-H2O]+

602.90486

227.3

[M+HCOO]-

664.90580

250.9

[M+CH3COO]-

678.92145

244.7

[M+Na-2H]-

640.88227

236.8

[M]+

619.90705

242.3

[M]-

619.90815

242.3

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

Nsc639779

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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