CID 22391

Norpipanone

Structural Information

Molecular Formula

C₂₃H₂₉NO

SMILES

CCC(=O)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3

InChIKey

WCDSHELZWCOTMI-UHFFFAOYSA-N

Compound name

4,4-diphenyl-6-piperidin-1-ylhexan-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7708
Patents: 335.2249 Da
Monoisotopic Mass: 4.8
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]+	336.23218	184.7
[M+Na]+	358.21412	185.7
[M-H]-	334.21762	190.4
[M+NH4]+	353.25872	195.4
[M+K]+	374.18806	180.3
[M+H-H2O]+	318.22216	174.1
[M+HCOO]-	380.22310	199.3
[M+CH3COO]-	394.23875	210.9
[M+Na-2H]-	356.19957	186.8
[M]+	335.22435	179.7
[M]-	335.22545	179.7

Literature stripe

literature stripe

Patent stripe

patents stripe