CID 13314

Lormetazepam

Structural Information

Molecular Formula

C₁₆H₁₂Cl₂N₂O₂

SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3

InChIKey

FJIKWRGCXUCUIG-UHFFFAOYSA-N

Compound name

7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 234
References: 7217
Patents: 334.0276 Da
Monoisotopic Mass: 2.4
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]+	335.034876	170.4
[M+Na]+	357.016818	182.9
[M-H]-	333.020324	175.1
[M+NH4]+	352.061423	183.6
[M+K]+	372.990758	180.6
[M+H-H2O]+	317.024860	162.4
[M+HCOO]-	379.025801	179.6
[M+CH3COO]-	393.041451	181.4
[M+Na-2H]-	355.002266	173.6
[M]+	334.02705142	171.4
[M]-	334.02814858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe