CID 39937

N-(2-hydroxyethyl)oxazepam

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂O₃

SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O

InChI

InChI=1S/C17H15ClN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)19-16(22)17(23)20(14)8-9-21/h1-7,10,16,21-22H,8-9H2

InChIKey

ZPCPWNCFYGEMEO-UHFFFAOYSA-N

Compound name

7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.07712 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]+	331.084396	173.4
[M+Na]+	353.066338	183.0
[M-H]-	329.069844	177.3
[M+NH4]+	348.110943	185.1
[M+K]+	369.040278	181.4
[M+H-H2O]+	313.074380	165.3
[M+HCOO]-	375.075321	185.6
[M+CH3COO]-	389.090971	183.4
[M+Na-2H]-	351.051786	177.0
[M]+	330.07657142	172.8
[M]-	330.07766858	172.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.