CID 3069136

Brn 4530213

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H23ClN2O/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
WMXKSRGULUDETA-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.157176 179.3
[M+Na]+ 353.139118 184.3
[M-H]- 329.142624 184.3
[M+NH4]+ 348.183723 190.3
[M+K]+ 369.113058 177.6
[M+H-H2O]+ 313.147160 168.1
[M+HCOO]- 375.148101 191.6
[M+CH3COO]- 389.163751 188.0
[M+Na-2H]- 351.124566 181.9
[M]+ 330.14935142 178.1
[M]- 330.15044858 178.1
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.