CID 3045003

1-(2-methoxy-2-(3-pyridyl)ethyl)-4-(2'-chlorophenyl)piperazine

Structural Information

Molecular Formula
C18H22ClN3O
SMILES
COC(CN1CCN(CC1)C2=CC=CC=C2Cl)C3=CN=CC=C3
InChI
InChI=1S/C18H22ClN3O/c1-23-18(15-5-4-8-20-13-15)14-21-9-11-22(12-10-21)17-7-3-2-6-16(17)19/h2-8,13,18H,9-12,14H2,1H3
InChIKey
HONKOOXYBLOMNX-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14514 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15242 178.5
[M+Na]+ 354.13436 183.6
[M-H]- 330.13786 182.4
[M+NH4]+ 349.17896 188.0
[M+K]+ 370.10830 177.4
[M+H-H2O]+ 314.14240 166.7
[M+HCOO]- 376.14334 188.7
[M+CH3COO]- 390.15899 186.7
[M+Na-2H]- 352.11981 180.7
[M]+ 331.14459 176.9
[M]- 331.14569 176.9
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.