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 164.7
[M+Na]+ 326.17266 167.3
[M-H]- 302.17616 167.2
[M+NH4]+ 321.21726 169.7
[M+K]+ 342.14660 167.7
[M+H-H2O]+ 286.18070 159.5
[M+HCOO]- 348.18164 170.0
[M+CH3COO]- 362.19729 167.9
[M+Na-2H]- 324.15811 164.0
[M]+ 303.18289 162.6
[M]- 303.18399 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.