CID 4183279

477320-65-3

Structural Information

Molecular Formula
C19H21BrN2O
SMILES
C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C19H21BrN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKey
CNFHGQXRVXBRRD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

372.08374 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09102 181.6
[M+Na]+ 395.07296 188.6
[M-H]- 371.07646 189.5
[M+NH4]+ 390.11756 194.1
[M+K]+ 411.04690 176.0
[M+H-H2O]+ 355.08100 178.1
[M+HCOO]- 417.08194 195.8
[M+CH3COO]- 431.09759 192.0
[M+Na-2H]- 393.05841 184.7
[M]+ 372.08319 196.1
[M]- 372.08429 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.