CID 3059797

Piperazine, 1-(2-ethoxy-2-(2-pyridyl)ethyl)-4-(o-methoxyphenyl)-, hydrochloride, hydrate (4:4:1)

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=N3
InChI
InChI=1S/C20H27N3O2/c1-3-25-20(17-8-6-7-11-21-17)16-22-12-14-23(15-13-22)18-9-4-5-10-19(18)24-2/h4-11,20H,3,12-16H2,1-2H3
InChIKey
JLRQJSDCMMJMQX-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 184.9
[M+Na]+ 364.19955 188.2
[M-H]- 340.20305 188.8
[M+NH4]+ 359.24415 193.0
[M+K]+ 380.17349 183.7
[M+H-H2O]+ 324.20759 172.4
[M+HCOO]- 386.20853 199.3
[M+CH3COO]- 400.22418 212.0
[M+Na-2H]- 362.18500 186.6
[M]+ 341.20978 183.2
[M]- 341.21088 183.2
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

patents stripe