CID 12359497

102517-07-7

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4
InChI
InChI=1S/C19H23N3O2/c1-15-13-22(19-4-2-3-8-20-19)11-10-21(15)9-7-16-5-6-17-18(12-16)24-14-23-17/h2-6,8,12,15H,7,9-11,13-14H2,1H3
InChIKey
PCLAWQUSXZKWKT-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-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 179.3
[M+Na]+ 348.168238 185.2
[M-H]- 324.171744 186.0
[M+NH4]+ 343.212843 188.7
[M+K]+ 364.142178 182.0
[M+H-H2O]+ 308.176280 168.1
[M+HCOO]- 370.177221 192.4
[M+CH3COO]- 384.192871 188.4
[M+Na-2H]- 346.153686 181.1
[M]+ 325.17847142 177.7
[M]- 325.17956858 177.7
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.