PubChemLite - Dimesyl-trityl-t (C31H32N2O10S2)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C31H32N2O10S2/c1-21-19-33(30(35)32-28(21)34)29-27(43-45(3,38)39)26(42-44(2,36)37)25(41-29)20-40-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-19,25-27,29H,20H2,1-3H3,(H,32,34,35)/t25-,26-,27-,29-/m1/s1

InChIKey

YTPDEKJOKAGGQY-LTGLEFCMSA-N

Compound name

[(2R,3R,4R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-methylsulfonyloxy-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate

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]+	657.15712	249.0
[M+Na]+	679.13906	253.1
[M-H]-	655.14256	260.8
[M+NH4]+	674.18366	245.6
[M+K]+	695.11300	250.7
[M+H-H2O]+	639.14710	239.4
[M+HCOO]-	701.14804	253.3
[M+CH3COO]-	715.16369	257.5
[M+Na-2H]-	677.12451	252.2
[M]+	656.14929	256.2
[M]-	656.15039	256.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

657.15712

249.0

[M+Na]+

679.13906

253.1

[M-H]-

655.14256

260.8

[M+NH4]+

674.18366

245.6

[M+K]+

695.11300

250.7

[M+H-H2O]+

639.14710

239.4

[M+HCOO]-

701.14804

253.3

[M+CH3COO]-

715.16369

257.5

[M+Na-2H]-

677.12451

252.2

[M]+

656.14929

256.2

[M]-

656.15039

256.2

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

Dimesyl-trityl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe