CID 32138

23904-74-7

Structural Information

Molecular Formula
C24H24ClN3O
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClN3O/c25-21-11-9-20(10-12-21)22(19-6-2-1-3-7-19)18-24(29)28-16-14-27(15-17-28)23-8-4-5-13-26-23/h1-13,22H,14-18H2
InChIKey
JLECXHKEFWMTDA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1608 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16808 197.9
[M+Na]+ 428.15002 201.5
[M-H]- 404.15352 204.2
[M+NH4]+ 423.19462 203.4
[M+K]+ 444.12396 193.4
[M+H-H2O]+ 388.15806 184.2
[M+HCOO]- 450.15900 206.3
[M+CH3COO]- 464.17465 204.2
[M+Na-2H]- 426.13547 198.3
[M]+ 405.16025 194.3
[M]- 405.16135 194.3
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

No patent data available for this compound.