PubChemLite - Sparsentan (C32H40N4O5S)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC

InChI

InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)

InChIKey

WRFHGDPIDHPWIQ-UHFFFAOYSA-N

Compound name

2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

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]+	593.27918	242.3
[M+Na]+	615.26112	248.6
[M-H]-	591.26462	255.4
[M+NH4]+	610.30572	248.2
[M+K]+	631.23506	244.4
[M+H-H2O]+	575.26916	234.6
[M+HCOO]-	637.27010	254.4
[M+CH3COO]-	651.28575	256.7
[M+Na-2H]-	613.24657	235.7
[M]+	592.27135	250.4
[M]-	592.27245	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.27918

242.3

[M+Na]+

615.26112

248.6

[M-H]-

591.26462

255.4

[M+NH4]+

610.30572

248.2

[M+K]+

631.23506

244.4

[M+H-H2O]+

575.26916

234.6

[M+HCOO]-

637.27010

254.4

[M+CH3COO]-

651.28575

256.7

[M+Na-2H]-

613.24657

235.7

[M]+

592.27135

250.4

[M]-

592.27245

250.4

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

Sparsentan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe