PubChemLite - Schembl25385837 (C24H24ClN3O4S)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=CC(=C1)C(=O)NC23CC(C2)(C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl)S(=O)(=O)C

InChI

InChI=1S/C24H24ClN3O4S/c1-22(2,33(3,30)31)17-6-4-5-16(11-17)20(29)27-24-12-23(13-24,14-24)21-26-19(28-32-21)15-7-9-18(25)10-8-15/h4-11H,12-14H2,1-3H3,(H,27,29)

InChIKey

FMXKIAZOKFBKFK-UHFFFAOYSA-N

Compound name

N-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-3-(2-methylsulfonylpropan-2-yl)benzamide

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]+	486.12488	207.8
[M+Na]+	508.10682	209.0
[M-H]-	484.11032	214.0
[M+NH4]+	503.15142	202.5
[M+K]+	524.08076	214.4
[M+H-H2O]+	468.11486	189.3
[M+HCOO]-	530.11580	209.0
[M+CH3COO]-	544.13145	247.2
[M+Na-2H]-	506.09227	210.7
[M]+	485.11705	236.6
[M]-	485.11815	236.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.12488

207.8

[M+Na]+

508.10682

209.0

[M-H]-

484.11032

214.0

[M+NH4]+

503.15142

202.5

[M+K]+

524.08076

214.4

[M+H-H2O]+

468.11486

189.3

[M+HCOO]-

530.11580

209.0

[M+CH3COO]-

544.13145

247.2

[M+Na-2H]-

506.09227

210.7

[M]+

485.11705

236.6

[M]-

485.11815

236.6

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

Schembl25385837

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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