CID 380209

Nsc665683

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H25NO3/c1-16-20(17-12-14-23(16)15-13-17)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,25H,12-15H2,1H3

InChIKey

QSORIMPJWKHJNL-UHFFFAOYSA-N

Compound name

(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 351.18344 Da
Monoisotopic Mass: 3.7
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]+	352.190716	182.2
[M+Na]+	374.172658	183.3
[M-H]-	350.176164	181.4
[M+NH4]+	369.217263	196.5
[M+K]+	390.146598	179.2
[M+H-H2O]+	334.180700	173.5
[M+HCOO]-	396.181641	187.9
[M+CH3COO]-	410.197291	188.5
[M+Na-2H]-	372.158106	190.5
[M]+	351.18289142	181.9
[M]-	351.18398858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe