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]+ 326.18630 179.3
[M+Na]+ 348.16824 193.8
[M+NH4]+ 343.21284 187.2
[M+K]+ 364.14218 188.1
[M-H]- 324.17174 186.8
[M+Na-2H]- 346.15369 185.5
[M]+ 325.17847 183.6
[M]- 325.17957 183.6
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.