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]+ 367.23802 192.2
[M+Na]+ 389.21996 193.2
[M-H]- 365.22346 196.6
[M+NH4]+ 384.26456 200.2
[M+K]+ 405.19390 188.3
[M+H-H2O]+ 349.22800 180.1
[M+HCOO]- 411.22894 206.2
[M+CH3COO]- 425.24459 217.1
[M+Na-2H]- 387.20541 191.8
[M]+ 366.23019 189.3
[M]- 366.23129 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.