PubChemLite - Rg-4733 (C22H20F5N3O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3NC1=O

InChI

InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1

InChIKey

OJPLJFIFUQPSJR-INIZCTEOSA-N

Compound name

2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

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]+	470.14978	188.5
[M+Na]+	492.13172	190.4
[M+NH4]+	487.17632	188.7
[M+K]+	508.10566	189.5
[M-H]-	468.13522	182.0
[M+Na-2H]-	490.11717	188.1
[M]+	469.14195	186.4
[M]-	469.14305	186.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.14978

188.5

[M+Na]+

492.13172

190.4

[M+NH4]+

487.17632

188.7

[M+K]+

508.10566

189.5

[M-H]-

468.13522

182.0

[M+Na-2H]-

490.11717

188.1

[M]+

469.14195

186.4

[M]-

469.14305

186.4

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

Rg-4733

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe