CID 1032718

1-butanone, 1-(4-cyclopentylphenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C25H32N2O
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O/c28-25(23-14-12-22(13-15-23)21-7-4-5-8-21)11-6-16-26-17-19-27(20-18-26)24-9-2-1-3-10-24/h1-3,9-10,12-15,21H,4-8,11,16-20H2
InChIKey
XOXYCYRGXBUQJF-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.25146 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 197.9
[M+Na]+ 399.24068 210.3
[M+NH4]+ 394.28528 205.8
[M+K]+ 415.21462 202.6
[M-H]- 375.24418 204.8
[M+Na-2H]- 397.22613 206.2
[M]+ 376.25091 201.5
[M]- 376.25201 201.5
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

patents stripe