CID 3064307

Piperidine, 1-(2-(diveratrylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C25H36N2O4
SMILES
COC1=C(C=C(C=C1)CN(CCN2CCCCC2)CC3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C25H36N2O4/c1-28-22-10-8-20(16-24(22)30-3)18-27(15-14-26-12-6-5-7-13-26)19-21-9-11-23(29-2)25(17-21)31-4/h8-11,16-17H,5-7,12-15,18-19H2,1-4H3
InChIKey
CULJUEJXIWXUEO-UHFFFAOYSA-N
Compound name
N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.26752 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.27480 207.7
[M+Na]+ 451.25674 209.8
[M-H]- 427.26024 215.5
[M+NH4]+ 446.30134 215.8
[M+K]+ 467.23068 207.2
[M+H-H2O]+ 411.26478 195.4
[M+HCOO]- 473.26572 226.0
[M+CH3COO]- 487.28137 235.3
[M+Na-2H]- 449.24219 206.3
[M]+ 428.26697 211.6
[M]- 428.26807 211.6
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.