CID 12359491

Dtxsid60907268

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1CN(CC(N1CCC2=CC3=C(C=C2)OCO3)C)C4=CC=CC=N4
InChI
InChI=1S/C20H25N3O2/c1-15-12-22(20-5-3-4-9-21-20)13-16(2)23(15)10-8-17-6-7-18-19(11-17)25-14-24-18/h3-7,9,11,15-16H,8,10,12-14H2,1-2H3
InChIKey
GCORLNUOGCUTOZ-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethyl-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 185.0
[M+Na]+ 362.183888 191.3
[M-H]- 338.187394 191.9
[M+NH4]+ 357.228493 194.1
[M+K]+ 378.157828 187.9
[M+H-H2O]+ 322.191930 173.9
[M+HCOO]- 384.192871 197.7
[M+CH3COO]- 398.208521 194.0
[M+Na-2H]- 360.169336 185.4
[M]+ 339.19412142 184.1
[M]- 339.19521858 184.1
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.