CID 11962412

Cenobamate

Structural Information

Molecular Formula

C₁₀H₁₀ClN₅O₂

SMILES

C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl

InChI

InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1

InChIKey

GFHAXPJGXSQLPT-VIFPVBQESA-N

Compound name

[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 124
References: 415
Patents: 267.0523 Da
Monoisotopic Mass: 1.5
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]+	268.05958	155.0
[M+Na]+	290.04152	163.4
[M-H]-	266.04502	156.2
[M+NH4]+	285.08612	167.6
[M+K]+	306.01546	159.5
[M+H-H2O]+	250.04956	145.1
[M+HCOO]-	312.05050	170.4
[M+CH3COO]-	326.06615	194.5
[M+Na-2H]-	288.02697	158.7
[M]+	267.05175	156.8
[M]-	267.05285	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe