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 192.6
[M+Na]+ 419.19412 195.3
[M-H]- 395.19762 204.6
[M+NH4]+ 414.23872 201.6
[M+K]+ 435.16806 196.1
[M+H-H2O]+ 379.20216 184.7
[M+HCOO]- 441.20310 206.0
[M+CH3COO]- 455.21875 201.4
[M+Na-2H]- 417.17957 193.1
[M]+ 396.20435 193.8
[M]- 396.20545 193.8
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.