CID 3059792

1-(2-ethoxy-2-(3-pyridyl)ethyl)-4-(2'-tolyl)piperazine

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCOC(CN1CCN(CC1)C2=CC=CC=C2C)C3=CN=CC=C3
InChI
InChI=1S/C20H27N3O/c1-3-24-20(18-8-6-10-21-15-18)16-22-11-13-23(14-12-22)19-9-5-4-7-17(19)2/h4-10,15,20H,3,11-14,16H2,1-2H3
InChIKey
GKCKVCHGFKBYLJ-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 182.0
[M+Na]+ 348.20464 185.5
[M-H]- 324.20814 185.9
[M+NH4]+ 343.24924 190.9
[M+K]+ 364.17858 180.3
[M+H-H2O]+ 308.21268 169.7
[M+HCOO]- 370.21362 196.2
[M+CH3COO]- 384.22927 189.8
[M+Na-2H]- 346.19009 183.6
[M]+ 325.21487 179.0
[M]- 325.21597 179.0
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.