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]+ 331.15718 179.3
[M+Na]+ 353.13912 184.3
[M-H]- 329.14262 184.3
[M+NH4]+ 348.18372 190.3
[M+K]+ 369.11306 177.6
[M+H-H2O]+ 313.14716 168.1
[M+HCOO]- 375.14810 191.6
[M+CH3COO]- 389.16375 188.0
[M+Na-2H]- 351.12457 181.9
[M]+ 330.14935 178.1
[M]- 330.15045 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.