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]+ 317.141526 174.8
[M+Na]+ 339.123468 180.3
[M-H]- 315.126974 180.1
[M+NH4]+ 334.168073 186.5
[M+K]+ 355.097408 173.8
[M+H-H2O]+ 299.131510 163.9
[M+HCOO]- 361.132451 187.5
[M+CH3COO]- 375.148101 184.0
[M+Na-2H]- 337.108916 178.0
[M]+ 316.13370142 173.4
[M]- 316.13479858 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.