CID 207085

3-quinuclidinyl 9,10-dihydro-9-anthroate

Structural Information

Molecular Formula

C₂₂H₂₃NO₂

SMILES

C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35

InChI

InChI=1S/C22H23NO2/c24-22(25-20-14-23-11-9-15(20)10-12-23)21-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)21/h1-8,15,20-21H,9-14H2

InChIKey

DCVFVRXNLHLACD-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl 9,10-dihydroanthracene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.17288 Da
Monoisotopic Mass: 4.0
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]+	334.180156	169.8
[M+Na]+	356.162098	171.1
[M-H]-	332.165604	168.5
[M+NH4]+	351.206703	186.8
[M+K]+	372.136038	165.7
[M+H-H2O]+	316.170140	159.1
[M+HCOO]-	378.171081	174.4
[M+CH3COO]-	392.186731	176.3
[M+Na-2H]-	354.147546	178.3
[M]+	333.17233142	168.1
[M]-	333.17342858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe