CID 200397

Brn 0559605

Structural Information

Molecular Formula
C17H20ClN3O
SMILES
C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C17H20ClN3O/c18-15-4-6-16(7-5-15)22-14-13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2
InChIKey
GGWHSOALXBVCMR-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13678 174.6
[M+Na]+ 340.11872 180.4
[M-H]- 316.12222 178.5
[M+NH4]+ 335.16332 184.7
[M+K]+ 356.09266 173.9
[M+H-H2O]+ 300.12676 162.8
[M+HCOO]- 362.12770 186.1
[M+CH3COO]- 376.14335 183.3
[M+Na-2H]- 338.10417 178.3
[M]+ 317.12895 173.2
[M]- 317.13005 173.2
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.