CID 129486

Azaprophen

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CC(C3)N(C4)C

InChI

InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3

InChIKey

WOMCGBFNBSIIEA-UHFFFAOYSA-N

Compound name

(6-methyl-6-azabicyclo[3.2.1]octan-3-yl) 2,2-diphenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 7
Patents: 349.2042 Da
Monoisotopic Mass: 4.8
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]+	350.21148	187.1
[M+Na]+	372.19342	190.5
[M-H]-	348.19692	193.5
[M+NH4]+	367.23802	201.3
[M+K]+	388.16736	185.6
[M+H-H2O]+	332.20146	178.1
[M+HCOO]-	394.20240	200.9
[M+CH3COO]-	408.21805	195.7
[M+Na-2H]-	370.17887	188.1
[M]+	349.20365	184.5
[M]-	349.20475	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe