CID 3069137

Brn 4530214

Structural Information

Molecular Formula
C19H23BrN2O
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C19H23BrN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKey
GZOOKCHCIWCHCR-UHFFFAOYSA-N
Compound name
1-[3-(4-bromophenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09937 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10665 182.6
[M+Na]+ 397.08859 189.6
[M-H]- 373.09209 190.4
[M+NH4]+ 392.13319 195.3
[M+K]+ 413.06253 177.2
[M+H-H2O]+ 357.09663 178.9
[M+HCOO]- 419.09757 197.6
[M+CH3COO]- 433.11322 193.1
[M+Na-2H]- 395.07404 186.8
[M]+ 374.09882 198.3
[M]- 374.09992 198.3
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.