PubChemLite - 226396-25-4 (C22H25F3N2O7S)

Structural Information

Molecular Formula

SMILES

COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)

InChIKey

NXUHVWMBPOFLMA-UHFFFAOYSA-N

Compound name

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

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]+	519.14078	211.0
[M+Na]+	541.12272	215.7
[M+NH4]+	536.16732	212.9
[M+K]+	557.09666	210.1
[M-H]-	517.12622	207.5
[M+Na-2H]-	539.10817	215.1
[M]+	518.13295	210.6
[M]-	518.13405	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.14078

211.0

[M+Na]+

541.12272

215.7

[M+NH4]+

536.16732

212.9

[M+K]+

557.09666

210.1

[M-H]-

517.12622

207.5

[M+Na-2H]-

539.10817

215.1

[M]+

518.13295

210.6

[M]-

518.13405

210.6

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

226396-25-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe