PubChemLite - 442905-33-1 (C46H50N2O4P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C

InChI

InChI=1S/C46H50N2O4P2/c1-27-13-28(2)18-35(17-27)53(36-19-29(3)14-30(4)20-36)39-25-41(49-9)47-45(51-11)43(39)44-40(26-42(50-10)48-46(44)52-12)54(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h13-26H,1-12H3

InChIKey

JRTHAKOHBMETRC-UHFFFAOYSA-N

Compound name

[3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridin-4-yl]-bis(3,5-dimethylphenyl)phosphane

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]+	757.33188	297.9
[M+Na]+	779.31382	317.5
[M+NH4]+	774.35842	301.9
[M+K]+	795.28776	306.0
[M-H]-	755.31732	310.2
[M+Na-2H]-	777.29927	307.5
[M]+	756.32405	304.7
[M]-	756.32515	304.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

757.33188

297.9

[M+Na]+

779.31382

317.5

[M+NH4]+

774.35842

301.9

[M+K]+

795.28776

306.0

[M-H]-

755.31732

310.2

[M+Na-2H]-

777.29927

307.5

[M]+

756.32405

304.7

[M]-

756.32515

304.7

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

442905-33-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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