PubChemLite - Faah inhibitor 1 (C24H23N3O3S3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N3O3S3/c1-16-4-9-20-21(15-16)32-24(26-20)18-5-7-19(8-6-18)25-23(28)17-10-12-27(13-11-17)33(29,30)22-3-2-14-31-22/h2-9,14-15,17H,10-13H2,1H3,(H,25,28)

InChIKey

IVGKSFUEBSXSAE-UHFFFAOYSA-N

Compound name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-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]+	498.09743	214.9
[M+Na]+	520.07937	223.7
[M-H]-	496.08287	225.2
[M+NH4]+	515.12397	224.6
[M+K]+	536.05331	215.8
[M+H-H2O]+	480.08741	209.5
[M+HCOO]-	542.08835	219.9
[M+CH3COO]-	556.10400	222.4
[M+Na-2H]-	518.06482	214.3
[M]+	497.08960	217.2
[M]-	497.09070	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.09743

214.9

[M+Na]+

520.07937

223.7

[M-H]-

496.08287

225.2

[M+NH4]+

515.12397

224.6

[M+K]+

536.05331

215.8

[M+H-H2O]+

480.08741

209.5

[M+HCOO]-

542.08835

219.9

[M+CH3COO]-

556.10400

222.4

[M+Na-2H]-

518.06482

214.3

[M]+

497.08960

217.2

[M]-

497.09070

217.2

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

Faah inhibitor 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe