CID 12359491

102233-10-3

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]+ 340.20195 185.0
[M+Na]+ 362.18389 191.3
[M-H]- 338.18739 191.9
[M+NH4]+ 357.22849 194.1
[M+K]+ 378.15783 187.9
[M+H-H2O]+ 322.19193 173.9
[M+HCOO]- 384.19287 197.7
[M+CH3COO]- 398.20852 194.0
[M+Na-2H]- 360.16934 185.4
[M]+ 339.19412 184.1
[M]- 339.19522 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.