CID 12359475

102233-09-0

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC1CN(CC(N1CC2=CC3=C(C=C2)OCO3)C)C4=CC=CC=N4
InChI
InChI=1S/C19H23N3O2/c1-14-10-21(19-5-3-4-8-20-19)11-15(2)22(14)12-16-6-7-17-18(9-16)24-13-23-17/h3-9,14-15H,10-13H2,1-2H3
InChIKey
BJVJUFFCXALOKY-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 180.5
[M+Na]+ 348.168238 187.3
[M-H]- 324.171744 187.6
[M+NH4]+ 343.212843 190.2
[M+K]+ 364.142178 184.1
[M+H-H2O]+ 308.176280 169.6
[M+HCOO]- 370.177221 193.5
[M+CH3COO]- 384.192871 189.9
[M+Na-2H]- 346.153686 181.5
[M]+ 325.17847142 179.3
[M]- 325.17956858 179.3
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.