PubChemLite - Gw6471 (C35H36F3N3O4)

Structural Information

Molecular Formula

SMILES

CCC(=O)NC[C@H](CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)N/C(=C\C(=O)C4=CC=C(C=C4)C(F)(F)F)/C

InChI

InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1

InChIKey

TYEFSRMOUXWTDN-DYQICHDWSA-N

Compound name

N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide

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]+	620.27308	249.7
[M+Na]+	642.25502	256.5
[M+NH4]+	637.29962	250.2
[M+K]+	658.22896	252.3
[M-H]-	618.25852	251.5
[M+Na-2H]-	640.24047	253.0
[M]+	619.26525	250.7
[M]-	619.26635	250.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

620.27308

249.7

[M+Na]+

642.25502

256.5

[M+NH4]+

637.29962

250.2

[M+K]+

658.22896

252.3

[M-H]-

618.25852

251.5

[M+Na-2H]-

640.24047

253.0

[M]+

619.26525

250.7

[M]-

619.26635

250.7

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

Gw6471

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe