CID 3071718

Benzenepropanamide, n,n'-(2-hydroxy-1,3-propanediyl)bis-

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1=CC=C(C=C1)CCC(=O)NCC(CNC(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C21H26N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,22,25)(H,23,26)
InChIKey
SDZYPJCYCAREFM-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.5
[M+Na]+ 377.18356 188.3
[M-H]- 353.18706 191.1
[M+NH4]+ 372.22816 197.9
[M+K]+ 393.15750 184.2
[M+H-H2O]+ 337.19160 178.1
[M+HCOO]- 399.19254 208.0
[M+CH3COO]- 413.20819 216.3
[M+Na-2H]- 375.16901 188.6
[M]+ 354.19379 186.4
[M]- 354.19489 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.