CID 205676

N,n-diethylphepracet

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCN(CC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2
InChI
InChI=1S/C21H28N2O/c1-4-23(5-2)20-13-11-19(12-14-20)16-21(24)22-17(3)15-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKey
HKOILBCQRPQYMT-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)phenyl]-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 183.1
[M+Na]+ 347.20937 185.6
[M-H]- 323.21287 189.9
[M+NH4]+ 342.25397 196.7
[M+K]+ 363.18331 182.4
[M+H-H2O]+ 307.21741 173.7
[M+HCOO]- 369.21835 206.0
[M+CH3COO]- 383.23400 219.6
[M+Na-2H]- 345.19482 184.1
[M]+ 324.21960 184.2
[M]- 324.22070 184.2
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.