PubChemLite - 1103528-68-2 (C30H34N4O3S)

Structural Information

Molecular Formula

SMILES

C[C@H](CN(C1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2)N3CCC(CC3)NC(=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H34N4O3S/c1-24(22-34(29-10-6-3-7-11-29)38(36,37)23-27-8-4-2-5-9-27)33-18-16-28(17-19-33)32-30(35)20-25-12-14-26(21-31)15-13-25/h2-15,24,28H,16-20,22-23H2,1H3,(H,32,35)/t24-/m1/s1

InChIKey

SGOUGBWRPWPQJA-XMMPIXPASA-N

Compound name

N-[1-[(2R)-1-(N-benzylsulfonylanilino)propan-2-yl]piperidin-4-yl]-2-(4-cyanophenyl)acetamide

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]+	531.24245	223.9
[M+Na]+	553.22439	233.7
[M+NH4]+	548.26899	225.8
[M+K]+	569.19833	221.9
[M-H]-	529.22789	223.1
[M+Na-2H]-	551.20984	229.8
[M]+	530.23462	224.5
[M]-	530.23572	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.24245

223.9

[M+Na]+

553.22439

233.7

[M+NH4]+

548.26899

225.8

[M+K]+

569.19833

221.9

[M-H]-

529.22789

223.1

[M+Na-2H]-

551.20984

229.8

[M]+

530.23462

224.5

[M]-

530.23572

224.5

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

1103528-68-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe