CID 3064305

Piperidine, 1-(2-(dipiperonylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H28N2O4
SMILES
C1CCN(CC1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C23H28N2O4/c1-2-8-24(9-3-1)10-11-25(14-18-4-6-20-22(12-18)28-16-26-20)15-19-5-7-21-23(13-19)29-17-27-21/h4-7,12-13H,1-3,8-11,14-17H2
InChIKey
PCRCISIBASFSLC-UHFFFAOYSA-N
Compound name
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 195.4
[M+Na]+ 419.19412 206.7
[M+NH4]+ 414.23872 203.3
[M+K]+ 435.16806 204.2
[M-H]- 395.19762 206.4
[M+Na-2H]- 417.17957 198.1
[M]+ 396.20435 200.1
[M]- 396.20545 200.1
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.