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 195.6
[M+Na]+ 399.24068 196.2
[M-H]- 375.24418 203.0
[M+NH4]+ 394.28528 204.8
[M+K]+ 415.21462 189.7
[M+H-H2O]+ 359.24872 183.2
[M+HCOO]- 421.24966 208.9
[M+CH3COO]- 435.26531 202.1
[M+Na-2H]- 397.22613 191.6
[M]+ 376.25091 188.3
[M]- 376.25201 188.3
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