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]+ 304.19072 163.3
[M+Na]+ 326.17266 166.9
[M+NH4]+ 321.21726 165.8
[M+K]+ 342.14660 165.6
[M-H]- 302.17616 165.1
[M+Na-2H]- 324.15811 165.3
[M]+ 303.18289 164.2
[M]- 303.18399 164.2
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.