PubChemLite - Win-63759 (C25H28Cl2N2O8S)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C2C(=CC(=C1)OC)S(=O)(=O)N(C2=O)COC(=O)C3=C(C=CC(=C3Cl)OCCN4CCOCC4)Cl

InChI

InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3

InChIKey

AGROLWZEYXFDEB-UHFFFAOYSA-N

Compound name

(6-methoxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate

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]+	587.10164	227.6
[M+Na]+	609.08358	239.3
[M+NH4]+	604.12818	232.5
[M+K]+	625.05752	232.3
[M-H]-	585.08708	230.4
[M+Na-2H]-	607.06903	230.6
[M]+	586.09381	231.0
[M]-	586.09491	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.10164

227.6

[M+Na]+

609.08358

239.3

[M+NH4]+

604.12818

232.5

[M+K]+

625.05752

232.3

[M-H]-

585.08708

230.4

[M+Na-2H]-

607.06903

230.6

[M]+

586.09381

231.0

[M]-

586.09491

231.0

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

Win-63759

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe