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 185.2
[M-H]- 324.17174 186.0
[M+NH4]+ 343.21284 188.7
[M+K]+ 364.14218 182.0
[M+H-H2O]+ 308.17628 168.1
[M+HCOO]- 370.17722 192.4
[M+CH3COO]- 384.19287 188.4
[M+Na-2H]- 346.15369 181.1
[M]+ 325.17847 177.7
[M]- 325.17957 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.