CID 1529106

1-propanone, 3-(1-piperidinyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-, hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCCCO3
InChI
InChI=1S/C18H25NO3/c20-16(8-11-19-9-2-1-3-10-19)15-6-7-17-18(14-15)22-13-5-4-12-21-17/h6-7,14H,1-5,8-13H2
InChIKey
FZTUKKJKVWHJSU-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 164.7
[M+Na]+ 326.172658 167.3
[M-H]- 302.176164 167.2
[M+NH4]+ 321.217263 169.7
[M+K]+ 342.146598 167.7
[M+H-H2O]+ 286.180700 159.5
[M+HCOO]- 348.181641 170.0
[M+CH3COO]- 362.197291 167.9
[M+Na-2H]- 324.158106 164.0
[M]+ 303.18289142 162.6
[M]- 303.18398858 162.6
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.