CID 452446

Chembl9735

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C([C@H](CC2=CC=CC=C2)NC(=O)C)O
InChI
InChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t19-,20-/m0/s1
InChIKey
JQWQQDDZJGLLET-PMACEKPBSA-N
Compound name
N-[(2S,4S)-4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 188.3
[M+Na]+ 377.18356 188.5
[M-H]- 353.18706 192.1
[M+NH4]+ 372.22816 198.5
[M+K]+ 393.15750 185.7
[M+H-H2O]+ 337.19160 179.2
[M+HCOO]- 399.19254 206.8
[M+CH3COO]- 413.20819 218.2
[M+Na-2H]- 375.16901 186.9
[M]+ 354.19379 186.0
[M]- 354.19489 186.0
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

No patent data available for this compound.