PubChemLite - 573718-56-6 (C38H34N2O4P2)

Structural Information

Molecular Formula

SMILES

COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC

InChI

InChI=1S/C38H34N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3

InChIKey

JZOSBBLJKXSBBN-UHFFFAOYSA-N

Compound name

[3-(4-diphenylphosphanyl-2,6-dimethoxypyridin-3-yl)-2,6-dimethoxypyridin-4-yl]-diphenylphosphane

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]+	645.20668	260.8
[M+Na]+	667.18862	279.5
[M+NH4]+	662.23322	266.2
[M+K]+	683.16256	268.4
[M-H]-	643.19212	272.7
[M+Na-2H]-	665.17407	274.4
[M]+	644.19885	267.2
[M]-	644.19995	267.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

645.20668

260.8

[M+Na]+

667.18862

279.5

[M+NH4]+

662.23322

266.2

[M+K]+

683.16256

268.4

[M-H]-

643.19212

272.7

[M+Na-2H]-

665.17407

274.4

[M]+

644.19885

267.2

[M]-

644.19995

267.2

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

573718-56-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe