PubChemLite - Ibutamoren (C27H36N4O5S)

Structural Information

Molecular Formula

SMILES

CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N

InChI

InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1

InChIKey

UMUPQWIGCOZEOY-JOCHJYFZSA-N

Compound name

2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]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]+	529.24794	222.6
[M+Na]+	551.22988	223.2
[M-H]-	527.23338	226.8
[M+NH4]+	546.27448	229.0
[M+K]+	567.20382	220.2
[M+H-H2O]+	511.23792	214.6
[M+HCOO]-	573.23886	228.0
[M+CH3COO]-	587.25451	245.8
[M+Na-2H]-	549.21533	224.1
[M]+	528.24011	222.1
[M]-	528.24121	222.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.24794

222.6

[M+Na]+

551.22988

223.2

[M-H]-

527.23338

226.8

[M+NH4]+

546.27448

229.0

[M+K]+

567.20382

220.2

[M+H-H2O]+

511.23792

214.6

[M+HCOO]-

573.23886

228.0

[M+CH3COO]-

587.25451

245.8

[M+Na-2H]-

549.21533

224.1

[M]+

528.24011

222.1

[M]-

528.24121

222.1

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

Ibutamoren

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe