CID 333271

82872-87-5

Structural Information

Molecular Formula

C₁₇H₂₁ClN₂O₂

SMILES

CC1(C2CCC(O1)(C3C2N3C(=O)NC4=CC(=CC=C4)Cl)C)C

InChI

InChI=1S/C17H21ClN2O2/c1-16(2)12-7-8-17(3,22-16)14-13(12)20(14)15(21)19-11-6-4-5-10(18)9-11/h4-6,9,12-14H,7-8H2,1-3H3,(H,19,21)

InChIKey

MZELXWCWVZYPER-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.12915 Da
Monoisotopic Mass: 2.9
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]+	321.136426	174.2
[M+Na]+	343.118368	183.1
[M-H]-	319.121874	176.6
[M+NH4]+	338.162973	190.3
[M+K]+	359.092308	179.5
[M+H-H2O]+	303.126410	167.2
[M+HCOO]-	365.127351	178.5
[M+CH3COO]-	379.143001	183.3
[M+Na-2H]-	341.103816	182.8
[M]+	320.12860142	182.0
[M]-	320.12969858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.