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	204.0
[M+Na]+	520.07937	215.4
[M+NH4]+	515.12397	211.4
[M+K]+	536.05331	206.9
[M-H]-	496.08287	210.4
[M+Na-2H]-	518.06482	212.1
[M]+	497.08960	208.8
[M]-	497.09070	208.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.09743

204.0

[M+Na]+

520.07937

215.4

[M+NH4]+

515.12397

211.4

[M+K]+

536.05331

206.9

[M-H]-

496.08287

210.4

[M+Na-2H]-

518.06482

212.1

[M]+

497.08960

208.8

[M]-

497.09070

208.8

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