CID 3045002

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

Structural Information

Molecular Formula
C19H25N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(C3=CN=CC=C3)OC
InChI
InChI=1S/C19H25N3O2/c1-23-18-8-4-3-7-17(18)22-12-10-21(11-13-22)15-19(24-2)16-6-5-9-20-14-16/h3-9,14,19H,10-13,15H2,1-2H3
InChIKey
MAZSEAIYFIJPJC-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.5
[M+Na]+ 350.18389 184.4
[M-H]- 326.18739 184.6
[M+NH4]+ 345.22849 189.3
[M+K]+ 366.15783 180.1
[M+H-H2O]+ 310.19193 168.3
[M+HCOO]- 372.19287 195.3
[M+CH3COO]- 386.20852 209.1
[M+Na-2H]- 348.16934 182.8
[M]+ 327.19412 178.6
[M]- 327.19522 178.6
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.