CID 504956

N-(2-hydroxyethyl)-2-oxo-n'-phenyl-n'-(3-phenylpropyl)butanediamide

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1=CC=C(C=C1)CCCN(C2=CC=CC=C2)C(=O)CC(=O)C(=O)NCCO
InChI
InChI=1S/C21H24N2O4/c24-15-13-22-21(27)19(25)16-20(26)23(18-11-5-2-6-12-18)14-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,24H,7,10,13-16H2,(H,22,27)
InChIKey
BFSODJYQLRXADC-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-oxo-N'-phenyl-N'-(3-phenylpropyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.8
[M+Na]+ 391.16282 190.8
[M-H]- 367.16632 194.9
[M+NH4]+ 386.20742 200.0
[M+K]+ 407.13676 188.2
[M+H-H2O]+ 351.17086 180.0
[M+HCOO]- 413.17180 211.1
[M+CH3COO]- 427.18745 220.9
[M+Na-2H]- 389.14827 190.2
[M]+ 368.17305 190.7
[M]- 368.17415 190.7
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.