CID 115693

64036-57-3

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4CCC5=CC=CC=C35

InChI

InChI=1S/C23H27NO2/c1-6-14-24(15-7-1)16-20-17-25-23(26-20)21-10-4-2-8-18(21)12-13-19-9-3-5-11-22(19)23/h2-5,8-11,20H,1,6-7,12-17H2

InChIKey

PWMAMTOENBNOMA-UHFFFAOYSA-N

Compound name

1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 4.1
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]+	350.211476	184.3
[M+Na]+	372.193418	188.2
[M-H]-	348.196924	193.8
[M+NH4]+	367.238023	197.6
[M+K]+	388.167358	186.3
[M+H-H2O]+	332.201460	175.6
[M+HCOO]-	394.202401	195.5
[M+CH3COO]-	408.218051	192.7
[M+Na-2H]-	370.178866	186.5
[M]+	349.20365142	176.7
[M]-	349.20474858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.