CID 77274

Buzepide

Structural Information

Molecular Formula

C₂₂H₂₈N₂O

SMILES

C1CCCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H28N2O/c23-21(25)22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25)

InChIKey

SLJXUJZUTPFXRJ-UHFFFAOYSA-N

Compound name

4-(azepan-1-yl)-2,2-diphenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 732
Patents: 336.22015 Da
Monoisotopic Mass: 3.8
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]+	337.227426	182.5
[M+Na]+	359.209368	182.3
[M-H]-	335.212874	189.1
[M+NH4]+	354.253973	192.1
[M+K]+	375.183308	182.0
[M+H-H2O]+	319.217410	173.4
[M+HCOO]-	381.218351	197.6
[M+CH3COO]-	395.234001	212.2
[M+Na-2H]-	357.194816	184.5
[M]+	336.21960142	173.2
[M]-	336.22069858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe