CID 9804938

Macimorelin

Structural Information

Molecular Formula
C26H30N6O3
SMILES
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)NC=O)N
InChI
InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
InChIKey
UJVDJAPJQWZRFR-DHIUTWEWSA-N
Compound name
2-amino-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

768
Patents

474.23795 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24523 210.8
[M+Na]+ 497.22717 216.2
[M+NH4]+ 492.27177 213.5
[M+K]+ 513.20111 217.0
[M-H]- 473.23067 212.1
[M+Na-2H]- 495.21262 213.6
[M]+ 474.23740 211.1
[M]- 474.23850 211.1
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