CID 50371

2-ethoxy-n-(1-phenylbutyl)benzamide

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCCC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2OCC
InChI
InChI=1S/C19H23NO2/c1-3-10-17(15-11-6-5-7-12-15)20-19(21)16-13-8-9-14-18(16)22-4-2/h5-9,11-14,17H,3-4,10H2,1-2H3,(H,20,21)
InChIKey
MNRKBYBXKTZZLG-UHFFFAOYSA-N
Compound name
2-ethoxy-N-(1-phenylbutyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

297.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 173.1
[M+Na]+ 320.162098 177.2
[M-H]- 296.165604 178.9
[M+NH4]+ 315.206703 187.5
[M+K]+ 336.136038 173.6
[M+H-H2O]+ 280.170140 164.5
[M+HCOO]- 342.171081 195.4
[M+CH3COO]- 356.186731 207.3
[M+Na-2H]- 318.147546 175.6
[M]+ 297.17233142 174.4
[M]- 297.17342858 174.4
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