CID 210464

21263-21-8

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-2-27-23(19-20-9-5-3-6-10-20)25-17-15-24(16-18-25)14-13-22(26)21-11-7-4-8-12-21/h3-12,23H,2,13-19H2,1H3
InChIKey
WDFJRNYDHOSSGI-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.2
[M+Na]+ 389.219958 193.2
[M-H]- 365.223464 196.6
[M+NH4]+ 384.264563 200.2
[M+K]+ 405.193898 188.3
[M+H-H2O]+ 349.228000 180.1
[M+HCOO]- 411.228941 206.2
[M+CH3COO]- 425.244591 217.1
[M+Na-2H]- 387.205406 191.8
[M]+ 366.23019142 189.3
[M]- 366.23128858 189.3
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.