CID 178024

Ibutamoren

Structural Information

Molecular Formula
C27H36N4O5S
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

compound 2d structure
3
Annotation Hits

137
References

2052
Patents

528.24066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.24794 217.0
[M+Na]+ 551.22988 221.9
[M+NH4]+ 546.27448 221.4
[M+K]+ 567.20382 217.8
[M-H]- 527.23338 217.7
[M+Na-2H]- 549.21533 221.7
[M]+ 528.24011 218.0
[M]- 528.24121 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe