CID 200403

Brn 0565629

Structural Information

Molecular Formula
C19H24ClN3O
SMILES
C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C19H24ClN3O/c20-17-6-8-18(9-7-17)24-16-4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-16H2
InChIKey
FOPYFLAXZFPDTP-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)butyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16808 183.3
[M+Na]+ 368.15002 188.2
[M-H]- 344.15352 186.8
[M+NH4]+ 363.19462 192.3
[M+K]+ 384.12396 181.2
[M+H-H2O]+ 328.15806 171.0
[M+HCOO]- 390.15900 194.1
[M+CH3COO]- 404.17465 191.1
[M+Na-2H]- 366.13547 185.9
[M]+ 345.16025 182.5
[M]- 345.16135 182.5
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.