CID 209994

Brn 1401417

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO2/c1-24-19-12-13-20(24)16-21(15-19)26-23(25)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,19-22H,12-16H2,1H3

InChIKey

ZJZJMPJTPLKUIF-UHFFFAOYSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-diphenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 349.2042 Da
Monoisotopic Mass: 4.5
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	186.8
[M+Na]+	372.193418	189.4
[M-H]-	348.196924	192.9
[M+NH4]+	367.238023	200.8
[M+K]+	388.167358	184.4
[M+H-H2O]+	332.201460	177.2
[M+HCOO]-	394.202401	201.1
[M+CH3COO]-	408.218051	195.1
[M+Na-2H]-	370.178866	185.6
[M]+	349.20365142	183.9
[M]-	349.20474858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe