CID 3050238

Brn 0852605

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O3/c1-2-21(25)18-8-10-20(11-9-18)27-17-12-22(26)24-15-13-23(14-16-24)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3
InChIKey
FKNRDSOKSDKPJC-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)-3-(4-propanoylphenoxy)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 190.1
[M+Na]+ 389.18356 192.8
[M-H]- 365.18706 195.3
[M+NH4]+ 384.22816 198.3
[M+K]+ 405.15750 188.2
[M+H-H2O]+ 349.19160 178.4
[M+HCOO]- 411.19254 204.8
[M+CH3COO]- 425.20819 216.1
[M+Na-2H]- 387.16901 189.6
[M]+ 366.19379 188.0
[M]- 366.19489 188.0
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.