CID 4041

Medazepam

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂

SMILES

CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3

InChIKey

YLCXGBZIZBEVPZ-UHFFFAOYSA-N

Compound name

7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 172
References: 7630
Patents: 270.09238 Da
Monoisotopic Mass: 4.4
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]+	271.09966	159.6
[M+Na]+	293.08160	169.1
[M-H]-	269.08510	165.2
[M+NH4]+	288.12620	174.7
[M+K]+	309.05554	166.7
[M+H-H2O]+	253.08964	151.2
[M+HCOO]-	315.09058	174.3
[M+CH3COO]-	329.10623	171.0
[M+Na-2H]-	291.06705	165.7
[M]+	270.09183	157.9
[M]-	270.09293	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe