PubChemLite - Andarine (C19H18F3N3O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1

InChIKey

YVXVTLGIDOACBJ-SFHVURJKSA-N

Compound name

(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]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]+	442.12206	192.1
[M+Na]+	464.10400	195.5
[M-H]-	440.10750	193.5
[M+NH4]+	459.14860	198.7
[M+K]+	480.07794	188.9
[M+H-H2O]+	424.11204	185.9
[M+HCOO]-	486.11298	209.1
[M+CH3COO]-	500.12863	224.0
[M+Na-2H]-	462.08945	197.3
[M]+	441.11423	187.7
[M]-	441.11533	187.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.12206

192.1

[M+Na]+

464.10400

195.5

[M-H]-

440.10750

193.5

[M+NH4]+

459.14860

198.7

[M+K]+

480.07794

188.9

[M+H-H2O]+

424.11204

185.9

[M+HCOO]-

486.11298

209.1

[M+CH3COO]-

500.12863

224.0

[M+Na-2H]-

462.08945

197.3

[M]+

441.11423

187.7

[M]-

441.11533

187.7

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

Andarine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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