PubChemLite - Ostarine (C19H14F3N3O3)

Structural Information

Molecular Formula

SMILES

C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1

InChIKey

JNGVJMBLXIUVRD-SFHVURJKSA-N

Compound name

(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

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]+	390.10600	195.7
[M+Na]+	412.08794	203.7
[M-H]-	388.09144	196.1
[M+NH4]+	407.13254	201.8
[M+K]+	428.06188	199.0
[M+H-H2O]+	372.09598	177.7
[M+HCOO]-	434.09692	202.6
[M+CH3COO]-	448.11257	238.5
[M+Na-2H]-	410.07339	194.2
[M]+	389.09817	184.8
[M]-	389.09927	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.10600

195.7

[M+Na]+

412.08794

203.7

[M-H]-

388.09144

196.1

[M+NH4]+

407.13254

201.8

[M+K]+

428.06188

199.0

[M+H-H2O]+

372.09598

177.7

[M+HCOO]-

434.09692

202.6

[M+CH3COO]-

448.11257

238.5

[M+Na-2H]-

410.07339

194.2

[M]+

389.09817

184.8

[M]-

389.09927

184.8

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

Ostarine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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