PubChemLite - Amg-0347 (C24H26F3N3O2)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2=C(C=CC(=N2)C(F)(F)F)/C=C/C(=O)NC3=CC=CC4=C3CC(CC4)O

InChI

InChI=1S/C24H26F3N3O2/c25-24(26,27)21-11-8-17(23(29-21)30-13-2-1-3-14-30)9-12-22(32)28-20-6-4-5-16-7-10-18(31)15-19(16)20/h4-6,8-9,11-12,18,31H,1-3,7,10,13-15H2,(H,28,32)/b12-9+

InChIKey

YCDWBIUKUBHSKQ-FMIVXFBMSA-N

Compound name

(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]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]+	446.20500	208.1
[M+Na]+	468.18694	210.9
[M-H]-	444.19044	208.6
[M+NH4]+	463.23154	213.4
[M+K]+	484.16088	202.9
[M+H-H2O]+	428.19498	194.1
[M+HCOO]-	490.19592	214.3
[M+CH3COO]-	504.21157	230.0
[M+Na-2H]-	466.17239	206.6
[M]+	445.19717	196.4
[M]-	445.19827	196.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.20500

208.1

[M+Na]+

468.18694

210.9

[M-H]-

444.19044

208.6

[M+NH4]+

463.23154

213.4

[M+K]+

484.16088

202.9

[M+H-H2O]+

428.19498

194.1

[M+HCOO]-

490.19592

214.3

[M+CH3COO]-

504.21157

230.0

[M+Na-2H]-

466.17239

206.6

[M]+

445.19717

196.4

[M]-

445.19827

196.4

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

Amg-0347

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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