CID 17925

Delorazepam

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂N₂O

SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

InChIKey

CHIFCDOIPRCHCF-UHFFFAOYSA-N

Compound name

7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 87
References: 1898
Patents: 304.01703 Da
Monoisotopic Mass: 3.1
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]+	305.02431	163.2
[M+Na]+	327.00625	174.6
[M-H]-	303.00975	167.1
[M+NH4]+	322.05085	176.9
[M+K]+	342.98019	171.3
[M+H-H2O]+	287.01429	155.0
[M+HCOO]-	349.01523	172.4
[M+CH3COO]-	363.03088	174.0
[M+Na-2H]-	324.99170	168.1
[M]+	304.01648	161.6
[M]-	304.01758	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe