CID 3049018

64246-17-9

Structural Information

Molecular Formula
C25H31NO6
SMILES
C1CCN(CC1)CCCC(COC2=CC3=C(C=C2)OCO3)COC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C25H31NO6/c1-2-10-26(11-3-1)12-4-5-19(15-27-20-6-8-22-24(13-20)31-17-29-22)16-28-21-7-9-23-25(14-21)32-18-30-23/h6-9,13-14,19H,1-5,10-12,15-18H2
InChIKey
TXDGDHMUXOWJSY-UHFFFAOYSA-N
Compound name
1-[5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)pentyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.21515 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.222426 202.1
[M+Na]+ 464.204368 203.8
[M-H]- 440.207874 212.5
[M+NH4]+ 459.248973 208.7
[M+K]+ 480.178308 205.0
[M+H-H2O]+ 424.212410 194.4
[M+HCOO]- 486.213351 212.6
[M+CH3COO]- 500.229001 209.6
[M+Na-2H]- 462.189816 201.0
[M]+ 441.21460142 205.5
[M]- 441.21569858 205.5
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.