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]+ 326.18630 180.5
[M+Na]+ 348.16824 187.3
[M-H]- 324.17174 187.6
[M+NH4]+ 343.21284 190.2
[M+K]+ 364.14218 184.1
[M+H-H2O]+ 308.17628 169.6
[M+HCOO]- 370.17722 193.5
[M+CH3COO]- 384.19287 189.9
[M+Na-2H]- 346.15369 181.5
[M]+ 325.17847 179.3
[M]- 325.17957 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.