CID 268763

Mls002704135

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO/c1-20(2,3)21-14-17(18(21)15-10-6-4-7-11-15)19(22)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3

InChIKey

ZCTKIUWMGOTRNW-UHFFFAOYSA-N

Compound name

(1-tert-butyl-2-phenylazetidin-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 293.17798 Da
Monoisotopic Mass: 3.9
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]+	294.185256	169.8
[M+Na]+	316.167198	174.8
[M-H]-	292.170704	177.4
[M+NH4]+	311.211803	177.4
[M+K]+	332.141138	173.5
[M+H-H2O]+	276.175240	155.9
[M+HCOO]-	338.176181	186.9
[M+CH3COO]-	352.191831	207.5
[M+Na-2H]-	314.152646	172.4
[M]+	293.17743142	177.4
[M]-	293.17852858	177.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.