PubChemLite - Amg-8563 (C24H25F3N2O2)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2=C(C=CC(=C2)C(F)(F)F)/C=C/C(=O)NC3=CC=CC4=C3C[C@H](C4)O

InChI

InChI=1S/C24H25F3N2O2/c25-24(26,27)18-9-7-16(22(14-18)29-11-2-1-3-12-29)8-10-23(31)28-21-6-4-5-17-13-19(30)15-20(17)21/h4-10,14,19,30H,1-3,11-13,15H2,(H,28,31)/b10-8+/t19-/m0/s1

InChIKey

HAZYXDWNLMGLIS-RQMBKDMJSA-N

Compound name

(E)-N-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]-3-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]prop-2-enamide

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]+	431.19408	202.8
[M+Na]+	453.17602	206.6
[M-H]-	429.17952	205.6
[M+NH4]+	448.22062	212.4
[M+K]+	469.14996	198.9
[M+H-H2O]+	413.18406	191.0
[M+HCOO]-	475.18500	212.9
[M+CH3COO]-	489.20065	226.6
[M+Na-2H]-	451.16147	199.7
[M]+	430.18625	193.1
[M]-	430.18735	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.19408

202.8

[M+Na]+

453.17602

206.6

[M-H]-

429.17952

205.6

[M+NH4]+

448.22062

212.4

[M+K]+

469.14996

198.9

[M+H-H2O]+

413.18406

191.0

[M+HCOO]-

475.18500

212.9

[M+CH3COO]-

489.20065

226.6

[M+Na-2H]-

451.16147

199.7

[M]+

430.18625

193.1

[M]-

430.18735

193.1

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

Amg-8563

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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