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]+ 355.201616 187.5
[M+Na]+ 377.183558 188.3
[M-H]- 353.187064 191.1
[M+NH4]+ 372.228163 197.9
[M+K]+ 393.157498 184.2
[M+H-H2O]+ 337.191600 178.1
[M+HCOO]- 399.192541 208.0
[M+CH3COO]- 413.208191 216.3
[M+Na-2H]- 375.169006 188.6
[M]+ 354.19379142 186.4
[M]- 354.19488858 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.