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]+ 442.22243 202.1
[M+Na]+ 464.20437 203.8
[M-H]- 440.20787 212.5
[M+NH4]+ 459.24897 208.7
[M+K]+ 480.17831 205.0
[M+H-H2O]+ 424.21241 194.4
[M+HCOO]- 486.21335 212.6
[M+CH3COO]- 500.22900 209.6
[M+Na-2H]- 462.18982 201.0
[M]+ 441.21460 205.5
[M]- 441.21570 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.