CID 213312

Brn 0844247

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-20(2)13-19-28-23-10-8-21(9-11-23)24(27)12-14-25-15-17-26(18-16-25)22-6-4-3-5-7-22/h3-11,20H,12-19H2,1-2H3
InChIKey
RSVVDYCQDDTRHH-UHFFFAOYSA-N
Compound name
1-[4-(3-methylbutoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 197.1
[M+Na]+ 403.23559 209.8
[M+NH4]+ 398.28019 203.7
[M+K]+ 419.20953 201.4
[M-H]- 379.23909 201.9
[M+Na-2H]- 401.22104 204.6
[M]+ 380.24582 200.2
[M]- 380.24692 200.2
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.