CID 210476

21263-27-4

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H32N2O2/c1-3-28-24(19-21-7-5-4-6-8-21)26-17-15-25(16-18-26)14-13-23(27)22-11-9-20(2)10-12-22/h4-12,24H,3,13-19H2,1-2H3
InChIKey
DWMKWCBEXVXFQQ-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.8
[M+Na]+ 403.235588 198.3
[M-H]- 379.239094 201.5
[M+NH4]+ 398.280193 204.5
[M+K]+ 419.209528 193.2
[M+H-H2O]+ 363.243630 184.7
[M+HCOO]- 425.244571 210.4
[M+CH3COO]- 439.260221 221.2
[M+Na-2H]- 401.221036 195.2
[M]+ 380.24582142 194.7
[M]- 380.24691858 194.7
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.