PubChemLite - Azd3778 (C24H29Cl2N3O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)

InChIKey

QVLZVRFIGXNZMN-UHFFFAOYSA-N

Compound name

4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-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]+	526.13288	217.7
[M+Na]+	548.11482	230.1
[M+NH4]+	543.15942	223.6
[M+K]+	564.08876	220.9
[M-H]-	524.11832	223.2
[M+Na-2H]-	546.10027	224.9
[M]+	525.12505	221.9
[M]-	525.12615	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.13288

217.7

[M+Na]+

548.11482

230.1

[M+NH4]+

543.15942

223.6

[M+K]+

564.08876

220.9

[M-H]-

524.11832

223.2

[M+Na-2H]-

546.10027

224.9

[M]+

525.12505

221.9

[M]-

525.12615

221.9

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

Azd3778

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe