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]+ 395.26930 202.0
[M+Na]+ 417.25124 204.5
[M-H]- 393.25474 206.8
[M+NH4]+ 412.29584 209.7
[M+K]+ 433.22518 198.6
[M+H-H2O]+ 377.25928 189.8
[M+HCOO]- 439.26022 216.3
[M+CH3COO]- 453.27587 223.8
[M+Na-2H]- 415.23669 200.2
[M]+ 394.26147 201.2
[M]- 394.26257 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.