PubChemLite - 2-((2-(bis(4-methoxyphenyl)(phenyl)methoxy)ethyl)sulfonyl)ethyl (2-cyanoethyl) diisopropylphosphoramidite (C34H45N2O7PS)

Structural Information

Molecular Formula

SMILES

CC(C)N(C(C)C)P(OCCC#N)OCCS(=O)(=O)CCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C34H45N2O7PS/c1-27(2)36(28(3)4)44(42-22-10-21-35)43-24-26-45(37,38)25-23-41-34(29-11-8-7-9-12-29,30-13-17-32(39-5)18-14-30)31-15-19-33(40-6)20-16-31/h7-9,11-20,27-28H,10,22-26H2,1-6H3

InChIKey

RJDYWMSSNMDIOO-UHFFFAOYSA-N

Compound name

3-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

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]+	657.27578	242.7
[M+Na]+	679.25772	249.5
[M+NH4]+	674.30232	241.8
[M+K]+	695.23166	240.9
[M-H]-	655.26122	237.9
[M+Na-2H]-	677.24317	245.4
[M]+	656.26795	241.7
[M]-	656.26905	241.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

657.27578

242.7

[M+Na]+

679.25772

249.5

[M+NH4]+

674.30232

241.8

[M+K]+

695.23166

240.9

[M-H]-

655.26122

237.9

[M+Na-2H]-

677.24317

245.4

[M]+

656.26795

241.7

[M]-

656.26905

241.7

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

2-((2-(bis(4-methoxyphenyl)(phenyl)methoxy)ethyl)sulfonyl)ethyl (2-cyanoethyl) diisopropylphosphoramidite

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe