PubChemLite - Rs-102221 (C27H31F3N4O7S)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC

InChI

InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)

InChIKey

HZZZZODVDSHQRG-UHFFFAOYSA-N

Compound name

N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)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]+	613.19388	232.2
[M+Na]+	635.17582	235.0
[M+NH4]+	630.22042	231.7
[M+K]+	651.14976	231.9
[M-H]-	611.17932	227.5
[M+Na-2H]-	633.16127	233.4
[M]+	612.18605	230.9
[M]-	612.18715	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.19388

232.2

[M+Na]+

635.17582

235.0

[M+NH4]+

630.22042

231.7

[M+K]+

651.14976

231.9

[M-H]-

611.17932

227.5

[M+Na-2H]-

633.16127

233.4

[M]+

612.18605

230.9

[M]-

612.18715

230.9

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

Rs-102221

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe