CID 200533

1-(2-chlorophenyl)-4-(2-phenoxyethyl)piperazine

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
C1CN(CCN1CCOC2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H21ClN2O/c19-17-8-4-5-9-18(17)21-12-10-20(11-13-21)14-15-22-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
LLOVWVQENNOSPH-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-(2-phenoxyethyl)piperazine
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 174.8
[M+Na]+ 339.12347 180.3
[M-H]- 315.12697 180.1
[M+NH4]+ 334.16807 186.5
[M+K]+ 355.09741 173.8
[M+H-H2O]+ 299.13151 163.9
[M+HCOO]- 361.13245 187.5
[M+CH3COO]- 375.14810 184.0
[M+Na-2H]- 337.10892 178.0
[M]+ 316.13370 173.4
[M]- 316.13480 173.4
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.