CID 215848

36431-84-2

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C
InChI
InChI=1S/C25H34N2O2/c1-3-4-18-29-24-11-10-23(19-21(24)2)20-25(28)27-16-14-26(15-17-27)13-12-22-8-6-5-7-9-22/h5-11,19H,3-4,12-18,20H2,1-2H3
InChIKey
WDFKAGGJTNAMIF-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.26202 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.269296 202.0
[M+Na]+ 417.251238 204.5
[M-H]- 393.254744 206.8
[M+NH4]+ 412.295843 209.7
[M+K]+ 433.225178 198.6
[M+H-H2O]+ 377.259280 189.8
[M+HCOO]- 439.260221 216.3
[M+CH3COO]- 453.275871 223.8
[M+Na-2H]- 415.236686 200.2
[M]+ 394.26147142 201.2
[M]- 394.26256858 201.2
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.