CID 200749

Piperazine, 1-(4-(p-chlorophenoxy)butyl)-4-(m-chlorophenyl)-, hydrochloride

Structural Information

Molecular Formula
C20H24Cl2N2O
SMILES
C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H24Cl2N2O/c21-17-6-8-20(9-7-17)25-15-2-1-10-23-11-13-24(14-12-23)19-5-3-4-18(22)16-19/h3-9,16H,1-2,10-15H2
InChIKey
MQRIJWNBEBHPLE-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)butyl]-4-(3-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12656 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13384 189.2
[M+Na]+ 401.11578 195.0
[M-H]- 377.11928 193.5
[M+NH4]+ 396.16038 199.1
[M+K]+ 417.08972 187.2
[M+H-H2O]+ 361.12382 178.3
[M+HCOO]- 423.12476 196.0
[M+CH3COO]- 437.14041 197.0
[M+Na-2H]- 399.10123 189.8
[M]+ 378.12601 190.1
[M]- 378.12711 190.1
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.