PubChemLite - Rezvilutamide (C22H20F3N3O4S)

Structural Information

Molecular Formula

SMILES

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1

InChIKey

KRBMOYIWQCZVHA-INIZCTEOSA-N

Compound name

4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

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]+	480.11995	201.5
[M+Na]+	502.10189	209.2
[M+NH4]+	497.14649	201.6
[M+K]+	518.07583	200.3
[M-H]-	478.10539	191.3
[M+Na-2H]-	500.08734	201.8
[M]+	479.11212	199.1
[M]-	479.11322	199.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.11995

201.5

[M+Na]+

502.10189

209.2

[M+NH4]+

497.14649

201.6

[M+K]+

518.07583

200.3

[M-H]-

478.10539

191.3

[M+Na-2H]-

500.08734

201.8

[M]+

479.11212

199.1

[M]-

479.11322

199.1

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

Rezvilutamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe