CID 11110295

Pipertipine

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

C1CCN(CC1)C(=O)CCCCC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H27NO3/c22-20(21-13-7-4-8-14-21)10-6-3-1-2-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+

InChIKey

VIQYOKDVSJLKNG-WEVVVXLNSA-N

Compound name

(E)-8-(1,3-benzodioxol-5-yl)-1-piperidin-1-yloct-7-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 329.1991 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.206376	182.6
[M+Na]+	352.188318	185.1
[M-H]-	328.191824	187.7
[M+NH4]+	347.232923	194.5
[M+K]+	368.162258	182.7
[M+H-H2O]+	312.196360	173.9
[M+HCOO]-	374.197301	196.4
[M+CH3COO]-	388.212951	207.0
[M+Na-2H]-	350.173766	183.0
[M]+	329.19855142	181.5
[M]-	329.19964858	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe