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]+ 325.227426 183.1
[M+Na]+ 347.209368 185.6
[M-H]- 323.212874 189.9
[M+NH4]+ 342.253973 196.7
[M+K]+ 363.183308 182.4
[M+H-H2O]+ 307.217410 173.7
[M+HCOO]- 369.218351 206.0
[M+CH3COO]- 383.234001 219.6
[M+Na-2H]- 345.194816 184.1
[M]+ 324.21960142 184.2
[M]- 324.22069858 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.