CID 3086894

4-(4-(3-chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-1-butanone maleate

Structural Information

Molecular Formula
C25H31ClN2O
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H31ClN2O/c26-23-7-3-8-24(19-23)28-17-15-27(16-18-28)14-4-9-25(29)22-12-10-21(11-13-22)20-5-1-2-6-20/h3,7-8,10-13,19-20H,1-2,4-6,9,14-18H2
InChIKey
JVASWWIRYOWJBY-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-cyclopentylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2125 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21978 204.0
[M+Na]+ 433.20172 206.3
[M-H]- 409.20522 211.4
[M+NH4]+ 428.24632 213.0
[M+K]+ 449.17566 198.3
[M+H-H2O]+ 393.20976 191.8
[M+HCOO]- 455.21070 212.6
[M+CH3COO]- 469.22635 210.3
[M+Na-2H]- 431.18717 198.6
[M]+ 410.21195 199.4
[M]- 410.21305 199.4
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