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]+ 318.136776 174.6
[M+Na]+ 340.118718 180.4
[M-H]- 316.122224 178.5
[M+NH4]+ 335.163323 184.7
[M+K]+ 356.092658 173.9
[M+H-H2O]+ 300.126760 162.8
[M+HCOO]- 362.127701 186.1
[M+CH3COO]- 376.143351 183.3
[M+Na-2H]- 338.104166 178.3
[M]+ 317.12895142 173.2
[M]- 317.13004858 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.