CID 200394

Brn 0554759

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H21ClN2O/c19-16-6-8-18(9-7-16)22-15-14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKey
VHWSRPDMRIITKD-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 175.7
[M+Na]+ 339.12347 191.7
[M+NH4]+ 334.16807 184.7
[M+K]+ 355.09741 181.5
[M-H]- 315.12697 181.8
[M+Na-2H]- 337.10892 185.9
[M]+ 316.13370 180.1
[M]- 316.13480 180.1
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.