CID 3245

Eprazinone

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3
InChIKey
BSHWLCACYCVCJE-UHFFFAOYSA-N
Compound name
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

2935
Patents

380.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.2
[M+Na]+ 403.23559 208.2
[M+NH4]+ 398.28019 202.7
[M+K]+ 419.20953 200.5
[M-H]- 379.23909 200.8
[M+Na-2H]- 401.22104 203.7
[M]+ 380.24582 199.1
[M]- 380.24692 199.1
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